| 1 | Divergent folding-mediated epistasis among unstable membrane protein variants | 1.6 | 1 | Citations (PDF) |
| 2 | Benchmarking AlphaMissense pathogenicity predictions against cystic fibrosis variants | 2.5 | 27 | Citations (PDF) |
| 3 | The novel non-hallucinogenic compound DM506 (3-methyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole) induces sedative- and anxiolytic-like activity in mice by a mechanism involving 5-HT2A receptor activation | 4.4 | 6 | Citations (PDF) |
| 4 | Sequence and structural insights of monoleucine-based sorting motifs contained within the cytoplasmic domains of basolateral proteins | 3.7 | 0 | Citations (PDF) |
| 5 | IHMCIF: An Extension of the PDBx/mmCIF Data Standard for Integrative Structure Determination Methods | 4.3 | 9 | Citations (PDF) |
| 6 | <scp>MutationExplorer</scp>: a webserver for mutation of proteins and 3D visualization of energetic impacts | 16.3 | 19 | Citations (PDF) |
| 7 | Author response: Divergent Folding-Mediated Epistasis Among Unstable Membrane Protein Variants 2024, , | | 0 | Citations (PDF) |
| 8 | Posttranslationally modified self-peptides promote hypertension in mouse models | 9.1 | 0 | Citations (PDF) |
| 9 | Analysis of <scp>EGFR</scp> binding hotspots for design of new <scp>EGFR</scp> inhibitory biologics | 5.9 | 5 | Citations (PDF) |
| 10 | Docking cholesterol to integral membrane proteins with Rosetta | 3.3 | 6 | Citations (PDF) |
| 11 | Author response: Antigenic mapping and functional characterization of human New World hantavirus neutralizing antibodies 2023, , | | 0 | Citations (PDF) |
| 12 | Modeling conformational states of proteins with AlphaFold | 7.1 | 146 | Citations (PDF) |
| 13 | Computational modeling and prediction of deletion mutants | 3.3 | 18 | Citations (PDF) |
| 14 | Acquired Secondary <i>HER2</i> Mutations Enhance HER2/MAPK Signaling and Promote Resistance to HER2 Kinase Inhibition in Breast Cancer | 0.6 | 18 | Citations (PDF) |
| 15 | Interplay of thermodynamics and evolution within the ternary ligand-GPCR-G protein complex | 7.1 | 2 | Citations (PDF) |
| 16 | Time-resolved live-cell spectroscopy reveals EphA2 multimeric assembly | 19.5 | 33 | Citations (PDF) |
| 17 | Author Response: Divergent Pairwise Epistasis in the Context of Unstable Membrane Protein Variants 2023, , | | 0 | Citations (PDF) |
| 18 | Binding of Natural Peptide Ligands to the Neuropeptide Y<sub>5</sub> Receptor | 14.9 | 9 | Citations (PDF) |
| 19 | Mapping the Binding Sites of UDP and Prostaglandin E2 Glyceryl Ester in the Nucleotide Receptor P2Y<sub>6</sub> | 3.2 | 7 | Citations (PDF) |
| 20 | Mapping of the fibrinogen-binding site on the staphylocoagulase C-terminal repeat region | 2.3 | 2 | Citations (PDF) |
| 21 | Prediction of amphipathic helix-membrane interactions with Rosetta | 0.4 | 1 | Citations (PDF) |
| 22 | Introduction to the BioChemical Library (BCL): An Application-Based Open-Source Toolkit for Integrated Cheminformatics and Machine Learning in Computer-Aided Drug Discovery | 4.0 | 23 | Citations (PDF) |
| 23 | Veratridine Can Bind to a Site at the Mouth of the Channel Pore at Human Cardiac Sodium Channel NaV1.5 | 4.5 | 9 | Citations (PDF) |
| 24 | Structural Comparative Modeling of Multi-Domain F508del CFTR | 4.4 | 20 | Citations (PDF) |
| 25 | The Collagen Receptor Discoidin Domain Receptor 1b Enhances Integrin β1-Mediated Cell Migration by Interacting With Talin and Promoting Rac1 Activation | 3.7 | 19 | Citations (PDF) |
| 26 | Small integral membrane protein 10 like 1 downregulation enhances differentiation of adipose progenitor cells | 2.1 | 1 | Citations (PDF) |
| 27 | The Structural Basis of Peptide Binding at Class A G Protein-Coupled Receptors | 4.4 | 16 | Citations (PDF) |
| 28 | Predicting the functional impact of KCNQ1 variants with artificial neural networks | 3.3 | 10 | Citations (PDF) |
| 29 | Author response: Sampling alternative conformational states of transporters and receptors with AlphaFold2 2022, , | | 4 | Citations (PDF) |
| 30 | Molecular architecture of the human caveolin-1 complex | 11.5 | 103 | Citations (PDF) |
| 31 | Epitope-focused immunogen design based on the ebolavirus glycoprotein HR2-MPER region | 4.5 | 16 | Citations (PDF) |
| 32 | Author response: Heterogeneity of the GFP fitness landscape and data-driven protein design 2022, , | | 0 | Citations (PDF) |
| 33 | PlaceWaters: Real-time, explicit interface water sampling during Rosetta ligand docking | 2.5 | 4 | Citations (PDF) |
| 34 | Computational Structure Prediction for Antibody-Antigen Complexes From Hydrogen-Deuterium Exchange Mass Spectrometry: Challenges and Outlook | 5.0 | 16 | Citations (PDF) |
| 35 | Modeling of protein conformational changes with Rosetta guided by limited experimental data | 3.3 | 27 | Citations (PDF) |
| 36 | Towards generalizable predictions for G protein-coupled receptor variant expression | 0.4 | 5 | Citations (PDF) |
| 37 | Computational identification of HCV neutralizing antibodies with a common HCDR3 disulfide bond motif in the antibody repertoires of infected individuals | 14.2 | 7 | Citations (PDF) |
| 38 | Principles of Alternating Access in LeuT-fold Transporters: Commonalities and Divergences | 4.3 | 29 | Citations (PDF) |
| 39 | Molecular basis for variations in the sensitivity of pathogenic rhodopsin variants to 9-cis-retinal | 2.3 | 15 | Citations (PDF) |
| 40 | Allele-specific activation, enzyme kinetics, and inhibitor sensitivities of EGFR exon 19 deletion mutations in lung cancer | 7.5 | 22 | Citations (PDF) |
| 41 | Integrative model of the FSH receptor reveals the structural role of the flexible hinge region | 3.3 | 2 | Citations (PDF) |
| 42 | Rosetta FlexPepDock to predict peptide-MHC binding: An approach for non-canonical amino acids | 2.5 | 20 | Citations (PDF) |
| 43 | Computational epitope mapping of class I fusion proteins using low complexity supervised learning methods | 3.3 | 2 | Citations (PDF) |
| 44 | Lipocalin Blc is a potential heme‐binding protein | 2.8 | 6 | Citations (PDF) |
| 45 | Identification of a novel leptin receptor (LEPR) variant and proof of functional relevance directing treatment decisions in patients with morbid obesity | 5.5 | 29 | Citations (PDF) |
| 46 | BCL::Conf: Improved Open-Source Knowledge-Based Conformation Sampling Using the Crystallography Open Database | 5.0 | 36 | Citations (PDF) |
| 47 | Disease-linked supertrafficking of a potassium channel | 2.3 | 7 | Citations (PDF) |
| 48 | Rosetta design with co-evolutionary information retains protein function | 3.3 | 24 | Citations (PDF) |
| 49 | General Purpose Structure-Based Drug Discovery Neural Network Score Functions with Human-Interpretable Pharmacophore Maps | 5.0 | 38 | Citations (PDF) |
| 50 | Highly Selective Y<sub>4</sub> Receptor Antagonist Binds in an Allosteric Binding Pocket | 6.9 | 20 | Citations (PDF) |
| 51 | Biophysical and Computational Studies of Human Disease Related Proteins with a Single-Pass Transmembrane Helix | 0.4 | 0 | Citations (PDF) |
| 52 | Prediction of amphipathic helix—membrane interactions with Rosetta | 3.3 | 7 | Citations (PDF) |
| 53 | Cyclic Analogues of the Chemerin C-Terminus Mimic a Loop Conformation Essential for Activating the Chemokine-like Receptor 1 | 6.9 | 15 | Citations (PDF) |
| 54 | Modeling Immunity with Rosetta: Methods for Antibody and Antigen Design | 2.9 | 53 | Citations (PDF) |
| 55 | Structure–function analysis of oncogenic EGFR Kinase Domain Duplication reveals insights into activation and a potential approach for therapeutic targeting | 14.2 | 63 | Citations (PDF) |
| 56 | An arginine residue in the outer segment of hASIC1a TM1 affects both proton affinity and channel desensitization | 1.7 | 8 | Citations (PDF) |
| 57 | Clinical, neuroimaging, and molecular spectrum of
<i>TECPR2</i>
‐associated hereditary sensory and autonomic neuropathy with intellectual disability | 4.1 | 26 | Citations (PDF) |
| 58 | Familial Autonomic Ganglionopathy Caused by Rare
<i>CHRNA3</i>
Genetic Variants | 1.2 | 15 | Citations (PDF) |
| 59 | Structural determinants of cholesterol recognition in helical integral membrane proteins | 0.4 | 17 | Citations (PDF) |
| 60 | <scp>RosettaCM</scp> for antibodies with very long <scp>HCDR3s</scp> and low template availability | 2.6 | 3 | Citations (PDF) |
| 61 | Methodology for rigorous modeling of protein conformational changes by Rosetta using DEER distance restraints | 3.3 | 23 | Citations (PDF) |
| 62 | Structural Perspective on Ancient Neuropeptide Y-like System reveals Hallmark Features for Peptide Recognition and Receptor Activation | 4.3 | 9 | Citations (PDF) |
| 63 | Ligand-binding and -scavenging of the chemerin receptor GPR1 | 5.6 | 21 | Citations (PDF) |
| 64 | A Multitask Deep-Learning Method for Predicting Membrane Associations and Secondary Structures of Proteins | 3.7 | 9 | Citations (PDF) |
| 65 | Co-occurring gain-of-function mutations in HER2 and HER3 modulate HER2/HER3 activation, oncogenesis, and HER2 inhibitor sensitivity | 23.8 | 89 | Citations (PDF) |
| 66 | The Allosteric Activation of α7 nAChR by α-Conotoxin MrIC Is Modified by Mutations at the Vestibular Site | 3.9 | 6 | Citations (PDF) |
| 67 | Therapeutic alphavirus cross-reactive E1 human antibodies inhibit viral egressCell, 2021, 184, 4430-4446.e22 | 28.6 | 47 | Citations (PDF) |
| 68 | Identifying digenic disease genes via machine learning in the Undiagnosed Diseases Network | 6.5 | 39 | Citations (PDF) |
| 69 | Systematic profiling of temperature- and retinal-sensitive rhodopsin variants by deep mutational scanning | 2.3 | 17 | Citations (PDF) |
| 70 | Efficient Sampling of Protein Loop Regions Using Conformational Hashing Complemented with Random Coordinate Descent | 5.5 | 5 | Citations (PDF) |
| 71 | Computational redesign of a fluorogen activating protein with Rosetta | 3.3 | 6 | Citations (PDF) |
| 72 | Molecular basis for the evolved instability of a human G-protein coupled receptor | 6.2 | 13 | Citations (PDF) |
| 73 | Ensuring scientific reproducibility in bio-macromolecular modeling via extensive, automated benchmarks | 14.2 | 22 | Citations (PDF) |
| 74 | Discovery and Optimization of a Novel Series of Competitive and Central Nervous System-Penetrant Protease-Activated Receptor 4 (PAR4) Inhibitors | 3.9 | 4 | Citations (PDF) |
| 75 | Comparative modeling and docking of chemokine-receptor interactions with Rosetta | 2.1 | 5 | Citations (PDF) |
| 76 | Rapid Simulation of Unprocessed DEER Decay Data for Protein Fold Prediction | 0.4 | 23 | Citations (PDF) |
| 77 | Predicting susceptibility to SARS‐CoV‐2 infection based on structural differences in ACE2 across species | 0.7 | 51 | Citations (PDF) |
| 78 | A Computational Analysis of the Factors Governing the Dynamics of α7 nAChR and Its Homologs | 0.4 | 2 | Citations (PDF) |
| 79 | An Investigation of Three-Finger Toxin—nAChR Interactions through Rosetta Protein Docking | 3.9 | 9 | Citations (PDF) |
| 80 | Assessing multiple score functions in Rosetta for drug discovery | 2.5 | 33 | Citations (PDF) |
| 81 | PyIR: a scalable wrapper for processing billions of immunoglobulin and T cell receptor sequences using IgBLAST | 3.3 | 29 | Citations (PDF) |
| 82 | Phenotypic Profiling in Subjects Heterozygous for 1 of 2 Rare Variants in the Hypophosphatasia Gene (ALPL) | 0.3 | 8 | Citations (PDF) |
| 83 | Discovery of Marburg virus neutralizing antibodies from virus-naïve human antibody repertoires using large-scale structural predictions | 7.5 | 19 | Citations (PDF) |
| 84 | Computationally Designed Cyclic Peptides Derived from an Antibody Loop Increase Breadth of Binding for Influenza Variants | 3.3 | 24 | Citations (PDF) |
| 85 | Hydroxamic Acids Immobilized on Resins (HAIRs): Synthesis of Dual‐Targeting HDAC Inhibitors and HDAC Degraders (PROTACs) | 14.9 | 58 | Citations (PDF) |
| 86 | Identification of Structurally Related Antibodies in Antibody Sequence Databases Using Rosetta-Derived Position-Specific Scoring | 3.3 | 11 | Citations (PDF) |
| 87 | Integrated Structural Modeling of Full-Length LRH-1 Reveals Inter-domain Interactions Contribute to Receptor Structure and Function | 3.3 | 33 | Citations (PDF) |
| 88 | Potently neutralizing and protective human antibodies against SARS-CoV-2 | 34.3 | 1,087 | Citations (PDF) |
| 89 | Structure-Based Rational Design of Two Enhanced Bacterial Lipocalin <i>Blc</i> Tags for Protein-PAINT Super-resolution Microscopy | 3.8 | 18 | Citations (PDF) |
| 90 | Characterization of the ExoU activation mechanism using EPR and integrative modeling | 3.7 | 14 | Citations (PDF) |
| 91 | Better together: Elements of successful scientific software development in a distributed collaborative community | 3.3 | 39 | Citations (PDF) |
| 92 | Specificity and affinity of the N-terminal residues in staphylocoagulase in binding to prothrombin | 2.3 | 4 | Citations (PDF) |
| 93 | Structures Illuminate Cardiac Ion Channel Functions in Health and in Long QT Syndrome | 4.0 | 34 | Citations (PDF) |
| 94 | Macromolecular modeling and design in Rosetta: recent methods and frameworks | 24.0 | 794 | Citations (PDF) |
| 95 | MHC-II alleles shape the CDR3 repertoires of conventional and regulatory naïve CD4<sup>+</sup>T cells | 7.5 | 55 | Citations (PDF) |
| 96 | Probing biophysical sequence constraints within the transmembrane domains of rhodopsin by deep mutational scanning | 11.5 | 54 | Citations (PDF) |
| 97 | DiB-splits: nature-guided design of a novel fluorescent labeling split system | 3.7 | 7 | Citations (PDF) |
| 98 | Multi-state design of flexible proteins predicts sequences optimal for conformational change | 3.3 | 22 | Citations (PDF) |
| 99 | Delineating the Molecular Basis of the Calmodulin–bMunc13-2 Interaction by Cross-Linking/Mass Spectrometry—Evidence for a Novel CaM Binding Motif in bMunc13-2 | 4.8 | 9 | Citations (PDF) |
| 100 | 3D Deep Learning for Biological Function Prediction from Physical Fields 2020, 29, 928-937 | | 5 | Citations (PDF) |
| 101 | Improving homology modeling from low-sequence identity templates in Rosetta: A case study in GPCRs | 3.3 | 42 | Citations (PDF) |
| 102 | Structure and Physiological Function of the KCNQ1 Channel Voltage Sensor Intermediate State | 0.4 | 0 | Citations (PDF) |
| 103 | Foldit Drug Design Game Usability Study: Comparison of Citizen and Expert Scientists 2020, , 1-19 | | 0 | Citations (PDF) |
| 104 | Author response: Allosteric mechanism for KCNE1 modulation of KCNQ1 potassium channel activation 2020, , | | 0 | Citations (PDF) |
| 105 | Mono(2‐ethylhexyl) phthalate (MEHP) and mono(2‐ethyl‐5‐oxohexyl) phthalate (MEOHP) but not di(2‐ethylhexyl) phthalate (DEHP) bind productively to the peroxisome proliferator‐activated receptor γ | 1.5 | 44 | Citations (PDF) |
| 106 | Protein structure prediction using sparse NOE and RDC restraints with Rosetta in CASP13 | 2.6 | 13 | Citations (PDF) |
| 107 | The Impact of Natural Selection on the Evolution and Function of Placentally Expressed Galectins | 2.5 | 17 | Citations (PDF) |
| 108 | Integrative Protein Modeling in RosettaNMR from Sparse Paramagnetic Restraints | 3.3 | 30 | Citations (PDF) |
| 109 | Structural Model of Ghrelin Bound to its G Protein-Coupled Receptor | 3.3 | 49 | Citations (PDF) |
| 110 | BCL::MolAlign: Three-Dimensional Small Molecule Alignment for Pharmacophore Mapping | 5.0 | 21 | Citations (PDF) |
| 111 | Interfaces Between Alpha-helical Integral Membrane Proteins: Characterization, Prediction, and Docking | 4.1 | 9 | Citations (PDF) |
| 112 | A unified structural model of the mammalian translocator protein (TSPO) | 2.0 | 15 | Citations (PDF) |
| 113 | Identification of Novel Allosteric Modulators of Metabotropic Glutamate Receptor Subtype 5 Acting at Site Distinct from 2-Methyl-6-(phenylethynyl)-pyridine Binding | 3.9 | 5 | Citations (PDF) |
| 114 | IgG4‐related disease: Association with a rare gene variant expressed in cytotoxic T cells | 1.7 | 13 | Citations (PDF) |
| 115 | The STAT5b Linker Domain Mediates the Selectivity of Catechol Bisphosphates for STAT5b over STAT5a | 3.8 | 15 | Citations (PDF) |
| 116 | Protein structure aids predicting functional perturbation of missense variants in SCN5A and KCNQ1 | 4.1 | 23 | Citations (PDF) |
| 117 | Insight on mutation‐induced resistance to anaplastic lymphoma kinase inhibitor ceritinib from molecular dynamics simulations | 3.1 | 5 | Citations (PDF) |
| 118 | BCL::Mol2D—a robust atom environment descriptor for QSAR modeling and lead optimization | 3.1 | 9 | Citations (PDF) |
| 119 | On-target Resistance to the Mutant-Selective EGFR Inhibitor Osimertinib Can Develop in an Allele-Specific Manner Dependent on the Original EGFR-Activating Mutation | 6.4 | 103 | Citations (PDF) |
| 120 | Role of antibody heavy and light chain interface residues in affinity maturation of binding to HIV envelope glycoprotein | 3.3 | 7 | Citations (PDF) |
| 121 | Structural, functional, and behavioral insights of dopamine dysfunction revealed by a deletion in
<i>SLC6A3</i> | 7.5 | 41 | Citations (PDF) |
| 122 | Federating Structural Models and Data: Outcomes from A Workshop on Archiving Integrative Structures | 3.3 | 50 | Citations (PDF) |
| 123 | Immune repertoire fingerprinting by principal component analysis reveals shared features in subject groups with common exposures | 3.3 | 6 | Citations (PDF) |
| 124 | Human
<i>
V
<sub>H</sub>
1-69
</i>
Gene-Encoded Human Monoclonal Antibodies against Staphylococcus aureus IsdB Use at Least Three Distinct Modes of Binding To Inhibit Bacterial Growth and Pathogenesis | 4.5 | 20 | Citations (PDF) |
| 125 | Multistate design of influenza antibodies improves affinity and breadth against seasonal viruses | 7.5 | 29 | Citations (PDF) |
| 126 | Modeling the complete chemokine–receptor interaction | 0.0 | 8 | Citations (PDF) |
| 127 | Contribution of Cotranslational Folding Defects to Membrane Protein Homeostasis | 15.7 | 32 | Citations (PDF) |
| 128 | Upgraded molecular models of the human KCNQ1 potassium channel | 2.5 | 31 | Citations (PDF) |
| 129 | Structural basis of ligand binding modes at the neuropeptide Y Y1 receptor | 34.3 | 132 | Citations (PDF) |
| 130 | Holistic Approach to Partial Covalent Interactions in Protein Structure Prediction and Design with Rosetta | 5.0 | 5 | Citations (PDF) |
| 131 | Comprehensive Analysis of Constraint on the Spatial Distribution of Missense Variants in Human Protein Structures | 6.5 | 78 | Citations (PDF) |
| 132 | The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors | 12.5 | 84 | Citations (PDF) |
| 133 | <i>PIK3CA</i> C2 Domain Deletions Hyperactivate Phosphoinositide 3-kinase (PI3K), Generate Oncogene Dependence, and Are Exquisitely Sensitive to PI3K<b>α</b> Inhibitors | 6.4 | 32 | Citations (PDF) |
| 134 | Predictive Power of Different Types of Experimental Restraints in Small Molecule Docking: A Review | 5.0 | 24 | Citations (PDF) |
| 135 | The Marburgvirus-Neutralizing Human Monoclonal Antibody MR191 Targets a Conserved Site to Block Virus Receptor Binding | 10.6 | 60 | Citations (PDF) |
| 136 | Identification of a ubiquitin-binding interface using Rosetta and DEER | 7.5 | 29 | Citations (PDF) |
| 137 | Pharmacological evaluation of new constituents of “Spice”: synthetic cannabinoids based on indole, indazole, benzimidazole and carbazole scaffolds | 2.0 | 110 | Citations (PDF) |
| 138 | RosettaLigandEnsemble: A Small-Molecule Ensemble-Driven Docking Approach | 4.4 | 23 | Citations (PDF) |
| 139 | Integrated Structural Biology for α-Helical Membrane Protein Structure Determination | 3.3 | 13 | Citations (PDF) |
| 140 | Mechanisms of KCNQ1 channel dysfunction in long QT syndrome involving voltage sensor domain mutations | 11.5 | 86 | Citations (PDF) |
| 141 | α2A- and α2C-Adrenoceptors as Potential Targets for Dopamine and Dopamine Receptor Ligands | 3.7 | 31 | Citations (PDF) |
| 142 | Computational design of membrane proteins using RosettaMembrane | 5.9 | 27 | Citations (PDF) |
| 143 | Web‐accessible molecular modeling with Rosetta: The Rosetta Online Server that Includes Everyone (ROSIE) | 5.9 | 65 | Citations (PDF) |
| 144 | Finding the needle in the haystack: towards solving the protein-folding problem computationally | 5.9 | 33 | Citations (PDF) |
| 145 | High-Throughput Functional Evaluation of
<i>KCNQ1</i>
Decrypts Variants of Unknown Significance | 3.2 | 101 | Citations (PDF) |
| 146 | Structure and Function of the Transmembrane Domain of NsaS, an Antibiotic Sensing Histidine Kinase in <i>Staphylococcus aureus</i> | 15.7 | 19 | Citations (PDF) |
| 147 | Improved in Vitro Folding of the Y2 G Protein-Coupled Receptor into Bicelles | 3.6 | 26 | Citations (PDF) |
| 148 | Three-dimensional spatial analysis of missense variants in RTEL1 identifies pathogenic variants in patients with Familial Interstitial Pneumonia | 3.3 | 21 | Citations (PDF) |
| 149 | Discovery, Characterization, and Effects on Renal Fluid and Electrolyte Excretion of the Kir4.1 Potassium Channel Pore Blocker, VU0134992 | 2.8 | 53 | Citations (PDF) |
| 150 | Integrating linear optimization with structural modeling to increase HIV neutralization breadth | 3.3 | 11 | Citations (PDF) |
| 151 | An Acquired <i>HER2</i> T798I Gatekeeper Mutation Induces Resistance to Neratinib in a Patient with HER2 Mutant–Driven Breast Cancer | 26.3 | 99 | Citations (PDF) |
| 152 | Improving prediction of helix–helix packing in membrane proteins using predicted contact numbers as restraints | 2.6 | 9 | Citations (PDF) |
| 153 | Discoidin domain receptor 1 kinase activity is required for regulating collagen IV synthesis | 4.6 | 43 | Citations (PDF) |
| 154 | Predicting the Functional Impact of KCNQ1 Variants of Unknown Significance | 5.2 | 45 | Citations (PDF) |
| 155 | Structure and Dynamics of Type III Secretion Effector Protein ExoU As determined by SDSL-EPR Spectroscopy in Conjunction with De Novo Protein Folding | 4.4 | 12 | Citations (PDF) |
| 156 | Carbon and amide detect backbone assignment methods of a novel repeat protein from the staphylocoagulase in S. aureus | 0.6 | 3 | Citations (PDF) |
| 157 | Identification and Characterization of the First Selective Y<sub>4</sub> Receptor Positive Allosteric Modulator | 6.9 | 11 | Citations (PDF) |
| 158 | Development of Erasin: a chromone-based STAT3 inhibitor which induces apoptosis in Erlotinib-resistant lung cancer cells | 3.7 | 24 | Citations (PDF) |
| 159 | Role of Non-local Interactions between CDR Loops in Binding Affinity of MR78 Antibody to Marburg Virus Glycoprotein | 3.3 | 7 | Citations (PDF) |
| 160 | Prostaglandin E2 glyceryl ester is an endogenous agonist of the nucleotide receptor P2Y6 | 3.7 | 35 | Citations (PDF) |
| 161 | Pore Polarity and Charge Determine Differential Block of Kir1.1 and Kir7.1 Potassium Channels by Small-Molecule Inhibitor VU590 | 2.8 | 15 | Citations (PDF) |
| 162 | A Deep Hydrophobic Binding Cavity is the Main Interaction for Different Y<sub>2</sub>R Antagonists | 3.2 | 11 | Citations (PDF) |
| 163 | High-Throughput Screening Assay Datasets from the PubChem Database | 0.4 | 21 | Citations (PDF) |
| 164 | Quantitative Structure–Activity Relationship Modeling of Kinase Selectivity Profiles | 4.4 | 11 | Citations (PDF) |
| 165 | Membrane protein contact and structure prediction using co-evolution in conjunction with machine learning | 2.5 | 4 | Citations (PDF) |
| 166 | Consensus queries in ligand-based virtual screening experiments | 5.5 | 13 | Citations (PDF) |
| 167 | Discovery of Small-Molecule Modulators of the Human Y4 Receptor | 2.5 | 12 | Citations (PDF) |
| 168 | Rearrangement of the Extracellular Domain/Extracellular Loop 1 Interface Is Critical for Thyrotropin Receptor Activation | 2.3 | 22 | Citations (PDF) |
| 169 | Structural basis for KCNE3 modulation of potassium recycling in epithelia | 11.5 | 53 | Citations (PDF) |
| 170 | Long antibody HCDR3s from HIV-naïve donors presented on a PG9 neutralizing antibody background mediate HIV neutralization | 7.5 | 24 | Citations (PDF) |
| 171 | The unexpected structure of the designed protein Octarellin V.1 forms a challenge for protein structure prediction tools | 2.6 | 16 | Citations (PDF) |
| 172 | Comparison of agonist and antagonist binding sites of the neuropeptide Y receptor 2 | 2.1 | 0 | Citations (PDF) |
| 173 | Allosteric modulators to target the human Y4 receptor | 2.1 | 0 | Citations (PDF) |
| 174 | Structural dynamics of the ligand–receptor interaction of the neuropeptide Y receptor type 2 | 2.1 | 1 | Citations (PDF) |
| 175 | ML418: The First Selective, Sub-Micromolar Pore Blocker of Kir7.1 Potassium Channels | 3.9 | 35 | Citations (PDF) |
| 176 | Structure and dynamic signaling of the Y2 receptor | 2.1 | 0 | Citations (PDF) |
| 177 | Hydrophobic contacts specifically contribute to peptide binding at the neuropeptide Y2 receptor | 2.1 | 2 | Citations (PDF) |
| 178 | High yield in vitro folding of the Y2 receptor into bicelles for structural studies | 2.1 | 0 | Citations (PDF) |
| 179 | <i>EGFR</i> Fusions as Novel Therapeutic Targets in Lung Cancer | 26.3 | 114 | Citations (PDF) |
| 180 | A Conserved Hydrophobic Core in Gαi1 Regulates G Protein Activation and Release from Activated Receptor | 2.3 | 36 | Citations (PDF) |
| 181 | A Derived Allosteric Switch Underlies the Evolution of Conditional Cooperativity between HOXA11 and FOXO1 | 6.2 | 29 | Citations (PDF) |
| 182 | Protocols for Molecular Modeling with Rosetta3 and RosettaScripts | 2.9 | 217 | Citations (PDF) |
| 183 | Ligand-based virtual screen for the discovery of novel M5 inhibitor chemotypes | 2.1 | 17 | Citations (PDF) |
| 184 | Documentation of an Imperative To Improve Methods for Predicting Membrane Protein Stability | 2.9 | 52 | Citations (PDF) |
| 185 | Conformational Shift of a β‐Hairpin Peptide upon Complex Formation with an Oligo–proline Peptide Studied by Mass Spectrometry | 1.7 | 3 | Citations (PDF) |
| 186 | Structural basis for nonneutralizing antibody competition at antigenic site II of the respiratory syncytial virus fusion protein | 7.5 | 48 | Citations (PDF) |
| 187 | Pushing the size limit of de novo structure ensemble prediction guided by sparse SDSL-EPR restraints to 200 residues: The monomeric and homodimeric forms of BAX | 2.6 | 15 | Citations (PDF) |
| 188 | Protonation-dependent conformational dynamics of the multidrug transporter EmrE | 7.5 | 60 | Citations (PDF) |
| 189 | Structure and mechanism of the phage T4 recombination mediator protein UvsY | 7.5 | 16 | Citations (PDF) |
| 190 | Improving quantitative structure–activity relationship models using Artificial Neural Networks trained with dropout | 3.1 | 50 | Citations (PDF) |
| 191 | Accurate Prediction of Contact Numbers for Multi-Spanning Helical Membrane Proteins | 5.0 | 7 | Citations (PDF) |
| 192 | Origin and prediction of free-solution interaction studies performed label-free | 7.5 | 37 | Citations (PDF) |
| 193 | Characterization of the Domain Orientations of E. coli 5′-Nucleotidase by Fitting an Ensemble of Conformers to DEER Distance Distributions | 3.3 | 22 | Citations (PDF) |
| 194 | Evaluation of TSPO PET Ligands [18F]VUIIS1009A and [18F]VUIIS1009B: Tracers for Cancer Imaging | 2.4 | 15 | Citations (PDF) |
| 195 | CASP11 – An Evaluation of a Modular BCL::Fold-Based Protein Structure Prediction Pipeline | 2.5 | 13 | Citations (PDF) |
| 196 | Improving Loop Modeling of the Antibody Complementarity-Determining Region 3 Using Knowledge-Based Restraints | 2.5 | 26 | Citations (PDF) |
| 197 | CASP10-BCL::Fold efficiently samples topologies of large proteins | 2.6 | 5 | Citations (PDF) |
| 198 | BCL::SAXS: GPU accelerated Debye method for computation of small angle X-ray scattering profiles | 2.6 | 13 | Citations (PDF) |
| 199 | BCL::Conf: small molecule conformational sampling using a knowledge based rotamer library | 5.5 | 122 | Citations (PDF) |
| 200 | Unwinding of the C‐Terminal Residues of Neuropeptide Y is critical for Y<sub>2</sub> Receptor Binding and Activation | 14.9 | 77 | Citations (PDF) |
| 201 | Die Entfaltung der C‐terminalen α‐Helix des Neuropeptids Y ist entscheidend für die Bindung und Aktivierung des Y<sub>2</sub>‐Rezeptors | 1.5 | 10 | Citations (PDF) |
| 202 | Integrating Solid-State NMR and Computational Modeling to Investigate the Structure and Dynamics of Membrane-Associated Ghrelin | 2.5 | 15 | Citations (PDF) |
| 203 | Design of Protein Multi-specificity Using an Independent Sequence Search Reduces the Barrier to Low Energy Sequences | 3.3 | 37 | Citations (PDF) |
| 204 | Protein structure prediction guided by crosslinking restraints – A systematic evaluation of the impact of the crosslinking spacer length | 4.1 | 47 | Citations (PDF) |
| 205 | Genetic Analysis of the Localization of APOBEC3F to Human Immunodeficiency Virus Type 1 Virion Cores | 3.6 | 6 | Citations (PDF) |
| 206 | Discoidin domain receptor 1 (DDR1) kinase as target for structure-based drug discovery | 7.7 | 81 | Citations (PDF) |
| 207 | Outcome of the First wwPDB Hybrid/Integrative Methods Task Force Workshop | 3.3 | 178 | Citations (PDF) |
| 208 | Computational and Functional Analyses of a Small-Molecule Binding Site in ROMK | 0.4 | 22 | Citations (PDF) |
| 209 | Perspective on computational and structural aspects of kinase discovery from IPK2014 | 2.0 | 4 | Citations (PDF) |
| 210 | BCL::MP‐fold: Membrane protein structure prediction guided by <scp>EPR</scp> restraints | 2.6 | 24 | Citations (PDF) |
| 211 | Personalized Biochemistry and Biophysics | 2.9 | 32 | Citations (PDF) |
| 212 | <i>EGFR</i> Kinase Domain Duplication (<i>EGFR</i>-KDD) Is a Novel Oncogenic Driver in Lung Cancer That Is Clinically Responsive to Afatinib | 26.3 | 120 | Citations (PDF) |
| 213 | Autocorrelation descriptor improvements for QSAR: 2DA_Sign and 3DA_Sign | 3.1 | 39 | Citations (PDF) |
| 214 | A Structural Study of CESA1 Catalytic Domain of Arabidopsis Cellulose Synthesis Complex: Evidence for CESA Trimers | 5.4 | 114 | Citations (PDF) |
| 215 | Redesigned HIV antibodies exhibit enhanced neutralizing potency and breadth | 9.1 | 32 | Citations (PDF) |
| 216 | Fully Flexible Docking of Medium Sized Ligand Libraries with RosettaLigand | 2.5 | 135 | Citations (PDF) |
| 217 | A survey of conformational and energetic changes in G protein signaling | 0.9 | 1 | Citations (PDF) |
| 218 | RosettaTMH: a method for membrane protein structure elucidation combining EPR distance restraints with assembly of transmembrane helices | 0.9 | 1 | Citations (PDF) |
| 219 | Computational Modeling Suggests a Mechanism of Inhibition of SPAK/OSR1 by a known RF
x
V Pocket Inhibitor | 0.7 | 0 | Citations (PDF) |
| 220 | A Conserved Phenylalanine as a Relay between the α5 Helix and the GDP Binding Region of Heterotrimeric Gi Protein α Subunit | 2.3 | 44 | Citations (PDF) |
| 221 | A Newly Discovered TSHR Variant (L665F) Associated With Nonautoimmune Hyperthyroidism in an Austrian Family Induces Constitutive TSHR Activation by Steric Repulsion Between TM1 and TM7 | 4.5 | 10 | Citations (PDF) |
| 222 | Pancreatic Polypeptide Is Recognized by Two Hydrophobic Domains of the Human Y4 Receptor Binding Pocket | 2.3 | 31 | Citations (PDF) |
| 223 | Structure of a Class C GPCR Metabotropic Glutamate Receptor 1 Bound to an Allosteric Modulator | 19.5 | 509 | Citations (PDF) |
| 224 | Computational design of protein-small molecule interfaces | 2.6 | 27 | Citations (PDF) |
| 225 | Computational Methods in Drug Discovery | 16.5 | 1,826 | Citations (PDF) |
| 226 | Position and Length of Fatty Acids Strongly Affect Receptor Selectivity Pattern of Human Pancreatic Polypeptide Analogues | 3.2 | 27 | Citations (PDF) |
| 227 | The Homology Model of PMP22 Suggests Mutations Resulting in Peripheral Neuropathy Disrupt Transmembrane Helix Packing | 2.9 | 24 | Citations (PDF) |
| 228 | Opportunities and challenges in the discovery of allosteric modulators of GPCRs for treating CNS disorders | 39.5 | 253 | Citations (PDF) |
| 229 | Guanylate Cyclase-Activating Protein-2 Undergoes Structural Changes upon Binding to Detergent Micelles and Bicelles | 2.3 | 4 | Citations (PDF) |
| 230 | BCL::Fold—Protein topology determination from limited NMR restraints | 2.6 | 21 | Citations (PDF) |
| 231 | In silico analysis and experimental verification of OSR1 kinase – Peptide interaction | 2.6 | 6 | Citations (PDF) |
| 232 | Identification of Specific Ligand–Receptor Interactions That Govern Binding and Cooperativity of Diverse Modulators to a Common Metabotropic Glutamate Receptor 5 Allosteric Site | 3.9 | 52 | Citations (PDF) |
| 233 | Pyruvate Formate-Lyase Interacts Directly with the Formate Channel FocA to Regulate Formate Translocation | 4.3 | 51 | Citations (PDF) |
| 234 | Antibodies: Computer-Aided Prediction of Structure and Design of Function | 3.6 | 19 | Citations (PDF) |
| 235 | Cellular manganese content is developmentally regulated in human dopaminergic neurons | 3.7 | 78 | Citations (PDF) |
| 236 | Analysis of Nidogen-1/Laminin γ1 Interaction by Cross-Linking, Mass Spectrometry, and Computational Modeling Reveals Multiple Binding Modes | 2.5 | 49 | Citations (PDF) |
| 237 | Iterative Molecular Dynamics—Rosetta Protein Structure Refinement Protocol to Improve Model Quality | 5.5 | 41 | Citations (PDF) |
| 238 | Computational determination of the orientation of a heat repeat-like domain of DNA-PKcs | 3.1 | 1 | Citations (PDF) |
| 239 | Simultaneous prediction of binding free energy and specificity for PDZ domain–peptide interactions | 3.1 | 2 | Citations (PDF) |
| 240 | BCL::MP-Fold: Folding Membrane Proteins through Assembly of Transmembrane Helices | 3.3 | 35 | Citations (PDF) |
| 241 | Conformational Flexibility and Structural Dynamics in GPCR-Mediated G Protein Activation: A Perspective | 4.3 | 98 | Citations (PDF) |
| 242 | Characterization and Modeling of the Oligomeric State and Ligand Binding Behavior of Purified Translocator Protein 18 kDa from <i>Rhodobacter sphaeroides</i> | 2.9 | 55 | Citations (PDF) |
| 243 | RECONSTRUCTION OF SAXS PROFILES FROM PROTEIN STRUCTURES | 4.1 | 37 | Citations (PDF) |
| 244 | INVERTED TOPOLOGIES IN MEMBRANE PROTEINS: A MINI-REVIEW | 4.1 | 45 | Citations (PDF) |
| 245 | Exploration of Allosteric Agonism Structure–Activity Relationships within an Acetylene Series of Metabotropic Glutamate Receptor 5 (mGlu<sub>5</sub>) Positive Allosteric Modulators (PAMs): Discovery of 5-((3-Fluorophenyl)ethynyl)-<i>N</i>-(3-methyloxetan-3-yl)picolinamide (ML254) | 6.9 | 28 | Citations (PDF) |
| 246 | Identification of Determinants Required for Agonistic and Inverse Agonistic Ligand Properties at the ADP Receptor P2Y<sub>12</sub> | 2.8 | 34 | Citations (PDF) |
| 247 | Human Germline Antibody Gene Segments Encode Polyspecific Antibodies | 3.3 | 83 | Citations (PDF) |
| 248 | Probing the Metabotropic Glutamate Receptor 5 (mGlu<sub>5</sub>) Positive Allosteric Modulator (PAM) Binding Pocket: Discovery of Point Mutations That Engender a “Molecular Switch” in PAM Pharmacology | 2.8 | 72 | Citations (PDF) |
| 249 | Simultaneous prediction of protein secondary structure and transmembrane spans | 2.6 | 57 | Citations (PDF) |
| 250 | The activity of prolactin releasing peptide correlates with its helicity | 3.1 | 8 | Citations (PDF) |
| 251 | An Allosteric Mechanism for Drug Block of the Human Cardiac Potassium Channel KCNQ1 | 2.8 | 15 | Citations (PDF) |
| 252 | Human Rotavirus VP6-Specific Antibodies Mediate Intracellular Neutralization by Binding to a Quaternary Structure in the Transcriptional Pore | 2.5 | 58 | Citations (PDF) |
| 253 | Assessment and Challenges of Ligand Docking into Comparative Models of G-Protein Coupled Receptors | 2.5 | 34 | Citations (PDF) |
| 254 | Octarellin VI: Using Rosetta to Design a Putative Artificial (β/α)8 Protein | 2.5 | 21 | Citations (PDF) |
| 255 | RosettaEPR: Rotamer Library for Spin Label Structure and Dynamics | 2.5 | 44 | Citations (PDF) |
| 256 | Benchmarking Ligand-Based Virtual High-Throughput Screening with the PubChem Database | 4.4 | 68 | Citations (PDF) |
| 257 | Energetic analysis of the rhodopsin–G-protein complex links the α5 helix to GDP release | 9.0 | 68 | Citations (PDF) |
| 258 | Human antibodies that neutralize respiratory droplet transmissible H5N1 influenza viruses | 9.1 | 33 | Citations (PDF) |
| 259 | Towards Ligand Docking Including Explicit Interface Water Molecules | 2.5 | 67 | Citations (PDF) |
| 260 | Conformation of receptor-bound visual arrestin | 7.5 | 107 | Citations (PDF) |
| 261 | Ligand-mimicking Receptor Variant Discloses Binding and Activation Mode of Prolactin-releasing Peptide | 2.3 | 9 | Citations (PDF) |
| 262 | Iterative experimental and virtual high-throughput screening identifies metabotropic glutamate receptor subtype 4 positive allosteric modulators | 2.4 | 9 | Citations (PDF) |
| 263 | GPU-accelerated machine learning techniques enable QSAR modeling of large HTS data 2012, , 314-320 | | 5 | Citations (PDF) |
| 264 | Selective Mode of Action of Guanidine-Containing Non-Peptides at Human NPFF Receptors | 6.9 | 20 | Citations (PDF) |
| 265 | Bcl&#x2237;ChemInfo - Qualitative analysis of machine learning models for activation of HSD involved in Alzheimer's Disease 2012, , 329-334 | | 2 | Citations (PDF) |
| 266 | Potential of Fragment Recombination for Rational Design of Proteins | 15.7 | 44 | Citations (PDF) |
| 267 | BCL::EMAS — Enantioselective Molecular Asymmetry Descriptor for 3D-QSAR | 4.4 | 7 | Citations (PDF) |
| 268 | Using RosettaLigand for Small Molecule Docking into Comparative Models | 2.5 | 47 | Citations (PDF) |
| 269 | BCL::Score—Knowledge Based Energy Potentials for Ranking Protein Models Represented by Idealized Secondary Structure Elements | 2.5 | 41 | Citations (PDF) |
| 270 | Discovery of 2‐(2‐Benzoxazoyl amino)‐4‐Aryl‐5‐Cyanopyrimidine as Negative Allosteric Modulators (NAMs) of Metabotropic Glutamate Receptor 5 (mGlu<sub>5</sub>): From an Artificial Neural Network Virtual Screen to an In Vivo Tool Compound | 3.2 | 41 | Citations (PDF) |
| 271 | Prediction of HIV‐1 Protease/Inhibitor Affinity using RosettaLigand | 3.2 | 14 | Citations (PDF) |
| 272 | EM-Fold: De Novo Atomic-Detail Protein Structure Determination from Medium-Resolution Density Maps | 3.3 | 91 | Citations (PDF) |
| 273 | Ab initio protein modeling into CryoEM density maps using EM‐Fold | 3.1 | 23 | Citations (PDF) |
| 274 | BCL::Fold - De Novo Prediction of Complex and Large Protein Topologies by Assembly of Secondary Structure Elements | 2.5 | 41 | Citations (PDF) |
| 275 | Characterization of a Druggable Binding site in the Renal Outer Medullary Potassium Channel | 0.7 | 0 | Citations (PDF) |
| 276 | Comparative analysis of machine learning techniques for the prediction of logP 2011, , 1-6 | | 6 | Citations (PDF) |
| 277 | Measurement of Aptamer–Protein Interactions with Back-Scattering Interferometry | 6.7 | 39 | Citations (PDF) |
| 278 | Y95 and E444 Interaction Required for High-Affinity S-Citalopram Binding in the Human Serotonin Transporter | 3.9 | 12 | Citations (PDF) |
| 279 | Exploring Symmetry as an Avenue to the Computational Design of Large Protein Domains | 15.7 | 32 | Citations (PDF) |
| 280 | Design of Native-like Proteins through an Exposure-Dependent Environment Potential | 2.9 | 10 | Citations (PDF) |
| 281 | Rosetta3 | 0.0 | 1,857 | Citations (PDF) |
| 282 | RosettaEPR: An integrated tool for protein structure determination from sparse EPR data | 2.6 | 112 | Citations (PDF) |
| 283 | Algorithm for selection of optimized EPR distance restraints for de novo protein structure determination | 2.6 | 38 | Citations (PDF) |
| 284 | BCL::EM-Fit: Rigid body fitting of atomic structures into density maps using geometric hashing and real space refinement | 2.6 | 33 | Citations (PDF) |
| 285 | Allosteric modulation of metabotropic glutamate receptors: Structural insights and therapeutic potential | 4.5 | 114 | Citations (PDF) |
| 286 | RosettaScripts: A Scripting Language Interface to the Rosetta Macromolecular Modeling Suite | 2.5 | 646 | Citations (PDF) |
| 287 | Membrane Protein Structure Determination using Paramagnetic Tags | 3.3 | 10 | Citations (PDF) |
| 288 | Computational design of protein–ligand interfaces: potential in therapeutic development | 9.7 | 16 | Citations (PDF) |
| 289 | Expanding the utility of NMR restraints with paramagnetic compounds: Background and practical aspects | 7.9 | 170 | Citations (PDF) |
| 290 | Modellierung G-Protein-gekoppelter Rezeptoren mit ROSETTA | 0.0 | 0 | Citations (PDF) |
| 291 | A Conserved Asparagine Residue in Transmembrane Segment 1 (TM1) of Serotonin Transporter Dictates Chloride-coupled Neurotransmitter Transport | 2.3 | 35 | Citations (PDF) |
| 292 | Bcl::Cluster: A method for clustering biological molecules coupled with visualization in the Pymol Molecular Graphics System 2011, , 13-18 | | 148 | Citations (PDF) |
| 293 | Development of a Selective Small-Molecule Inhibitor of Kir1.1, the Renal Outer Medullary Potassium Channel | 2.8 | 78 | Citations (PDF) |
| 294 | Interaction of a G protein with an activated receptor opens the interdomain interface in the alpha subunit | 7.5 | 157 | Citations (PDF) |
| 295 | Computational design of an endo-1,4- -xylanase ligand binding site | 2.7 | 16 | Citations (PDF) |
| 296 | 3D-QSAR CoMFA study of benzoxazepine derivatives as mGluR5 positive allosteric modulators | 2.1 | 7 | Citations (PDF) |
| 297 | Computational modeling of laminin N‐terminal domains using sparse distance constraints from disulfide bonds and chemical cross‐linking | 2.6 | 29 | Citations (PDF) |
| 298 | Design and directed evolution of a dideoxy purine nucleoside phosphorylase | 2.7 | 28 | Citations (PDF) |
| 299 | Unique gating properties of<i>C. elegans</i>ClC anion channel splice variants are determined by altered CBS domain conformation and the R-helix linker | 2.9 | 9 | Citations (PDF) |
| 300 | BCL::Contact–Low Confidence Fold Recognition Hits Boost Protein Contact Prediction and <i>De Novo</i> Structure Determination | 1.8 | 4 | Citations (PDF) |
| 301 | Identification of Metabotropic Glutamate Receptor Subtype 5 Potentiators Using Virtual High-Throughput Screening | 3.9 | 45 | Citations (PDF) |
| 302 | Practically Useful: What the R<scp>osetta</scp>Protein Modeling Suite Can Do for You | 2.9 | 397 | Citations (PDF) |
| 303 | Discovery and Characterization of Novel Subtype-Selective Allosteric Agonists for the Investigation of M<sub>1</sub> Receptor Function in the Central Nervous System | 3.9 | 97 | Citations (PDF) |
| 304 | A physical model for PDZ-domain/peptide interactions | 2.4 | 20 | Citations (PDF) |
| 305 | Application of machine learning approaches on quantitative structure activity relationships 2009, , | | 12 | Citations (PDF) |
| 306 | The Kir channel immunoglobulin domain is essential for Kir1.1 (ROMK) thermodynamic stability, trafficking and gating | 2.9 | 33 | Citations (PDF) |
| 307 | A Correspondence Between Solution-State Dynamics of an Individual Protein and the Sequence and Conformational Diversity of its Family | 3.3 | 69 | Citations (PDF) |
| 308 | Hybrid approaches: applying computational methods in cryo-electron microscopy | 7.1 | 37 | Citations (PDF) |
| 309 | EM-Fold: De Novo Folding of α-Helical Proteins Guided by Intermediate-Resolution Electron Microscopy Density Maps | 3.3 | 83 | Citations (PDF) |
| 310 | Solvent accessible surface area approximations for rapid and accurate protein structure prediction | 2.4 | 398 | Citations (PDF) |
| 311 | Accessing ns–μs side chain dynamics in ubiquitin with methyl RDCs | 2.0 | 42 | Citations (PDF) |
| 312 | Structural determinants of species‐selective substrate recognition in human and <i>Drosophila</i> serotonin transporters revealed through computational docking studies | 2.6 | 57 | Citations (PDF) |
| 313 | A unified hydrophobicity scale for multispan membrane proteins | 2.6 | 60 | Citations (PDF) |
| 314 | The evolutionarily conserved residue A653 plays a key role in HERG channel closing | 2.9 | 15 | Citations (PDF) |
| 315 | Improved prediction of trans-membrane spans in proteins using an artificial neural network 2009, , | | 3 | Citations (PDF) |
| 316 | Self-consistent residual dipolar coupling based model-free analysis for the robust determination of nanosecond to microsecond protein dynamics | 2.0 | 103 | Citations (PDF) |
| 317 | De Novo High-Resolution Protein Structure Determination from Sparse Spin-Labeling EPR Data | 3.3 | 127 | Citations (PDF) |
| 318 | A Model for the Solution Structure of the Rod Arrestin Tetramer | 3.3 | 75 | Citations (PDF) |
| 319 | Residual dipolar couplings as a tool to study molecular recognition of ubiquitin | 4.2 | 37 | Citations (PDF) |
| 320 | Structure of KCNE1 and Implications for How It Modulates the KCNQ1 Potassium Channel | 2.9 | 194 | Citations (PDF) |
| 321 | BCL::Align—Sequence alignment and fold recognition with a custom scoring function online | 2.4 | 16 | Citations (PDF) |
| 322 | Serotonin and Supermodels: Model‐guided exploration of hSERT TM6 | 0.7 | 0 | Citations (PDF) |
| 323 | Structural Basis of the Activity of the Microtubule-Stabilizing Agent Epothilone A Studied by NMR Spectroscopy in Solution | 14.9 | 86 | Citations (PDF) |
| 324 | Structural Basis of the Activity of the Microtubule-Stabilizing Agent Epothilone A Studied by NMR Spectroscopy in Solution | 1.5 | 31 | Citations (PDF) |
| 325 | Using the natural evolution of a rotavirus-specific human monoclonal antibody to predict the complex topography of a viral antigenic site | 0.0 | 13 | Citations (PDF) |
| 326 | Structural Models for the KCNQ1 Voltage-Gated Potassium Channel | 2.9 | 96 | Citations (PDF) |
| 327 | Bound to Be Different: Neurotransmitter Transporters Meet Their Bacterial Cousins | 3.4 | 24 | Citations (PDF) |
| 328 | ROSETTALIGAND: Protein-small molecule docking with full side-chain flexibility | 2.6 | 487 | Citations (PDF) |
| 329 | New algorithms and an in silico benchmark for computational enzyme design | 5.9 | 347 | Citations (PDF) |
| 330 | A Thorough Dynamic Interpretation of Residual Dipolar Couplings in Ubiquitin | 2.0 | 77 | Citations (PDF) |
| 331 | The Tubulin-Bound Conformation of Discodermolide Derived by NMR Studies in Solution Supports a Common Pharmacophore Model for Epothilone and Discodermolide | 14.9 | 57 | Citations (PDF) |
| 332 | The Tubulin-Bound Conformation of Discodermolide Derived by NMR Studies in Solution Supports a Common Pharmacophore Model for Epothilone and Discodermolide | 1.5 | 15 | Citations (PDF) |
| 333 | The INPHARMA Method: Protein-Mediated Interligand NOEs for Pharmacophore Mapping | 14.9 | 156 | Citations (PDF) |
| 334 | The INPHARMA Method: Protein-Mediated Interligand NOEs for Pharmacophore Mapping | 1.5 | 48 | Citations (PDF) |
| 335 | Side-Chain Orientation and Hydrogen-Bonding Imprint Supra-τc Motion on the Protein Backbone of Ubiquitin | 1.5 | 7 | Citations (PDF) |
| 336 | The fumarate sensor DcuS: progress in rapid protein fold elucidation by combining protein structure prediction methods with NMR spectroscopy | 2.1 | 23 | Citations (PDF) |
| 337 | Free modeling with Rosetta in CASP6 | 2.6 | 133 | Citations (PDF) |
| 338 | CASP6 assessment of contact prediction | 2.6 | 87 | Citations (PDF) |
| 339 | Side-Chain Orientation and Hydrogen-Bonding Imprint Supra-τc Motion on the Protein Backbone of Ubiquitin | 14.9 | 40 | Citations (PDF) |
| 340 | Strand-loop-strand motifs: Prediction of hairpins and diverging turns in proteins | 2.6 | 46 | Citations (PDF) |
| 341 | Novel methods of automated structure elucidation based on13C NMR spectroscopy | 1.6 | 17 | Citations (PDF) |
| 342 | Title is missing! | 2.0 | 181 | Citations (PDF) |
| 343 | Title is missing! | 1.5 | 25 | Citations (PDF) |
| 344 | The High-Resolution Solution Structure of Epothilone A Bound to Tubulin: An Understanding of the Structure–Activity Relationships for a Powerful Class of Antitumor Agents | 14.9 | 104 | Citations (PDF) |
| 345 | Rosetta predictions in CASP5: Successes, failures, and prospects for complete automation | 2.6 | 166 | Citations (PDF) |
| 346 | Epothilones: Quantitative Structure Activity Relations Studied by Support Vector Machines and Artificial Neural Networks | 1.5 | 19 | Citations (PDF) |
| 347 | Dipolar Couplings in Multiple Alignments Suggest α Helical Motion in Ubiquitin | 15.7 | 56 | Citations (PDF) |
| 348 | Coupled prediction of protein secondary and tertiary structure | 7.5 | 173 | Citations (PDF) |
| 349 | Rapid protein fold determination using unassigned NMR data | 7.5 | 113 | Citations (PDF) |
| 350 | Model-Free Analysis of Protein Backbone Motion from Residual Dipolar Couplings | 15.7 | 201 | Citations (PDF) |
| 351 | Genius: A Genetic Algorithm for Automated Structure Elucidation from13C NMR Spectra | 15.7 | 56 | Citations (PDF) |
| 352 | Validation of Structural Proposals by Substructure Analysis and13C NMR Chemical Shift Prediction | 2.8 | 31 | Citations (PDF) |
| 353 | A Structural Model of the Complex Formed by Phospholamban and the Calcium Pump of Sarcoplasmic Reticulum Obtained by Molecular Mechanics | 2.7 | 35 | Citations (PDF) |
| 354 | Using Neural Networks for 13C NMR Chemical Shift Prediction–Comparison with Traditional Methods | 2.1 | 76 | Citations (PDF) |
| 355 | Angular Restraints from Residual Dipolar Couplings for Structure Refinement 2002, , 163-229 | | 7 | Citations (PDF) |
| 356 | Automated Structure Elucidation of Organic Molecules from 13C NMR Spectra Using Genetic Algorithms and Neural Networks | 2.8 | 40 | Citations (PDF) |
| 357 | Model-Free Approach to the Dynamic Interpretation of Residual Dipolar Couplings in Globular Proteins | 15.7 | 273 | Citations (PDF) |
| 358 | Determination of Aliphatic Side-Chain Conformation Using Cross-Correlated Relaxation: Application to an Extraordinarily Stable 2‘-aminoethoxy-Modified Oligonucleotide Triplex | 15.7 | 27 | Citations (PDF) |
| 359 | Generation and evaluation of dimension-reduced amino acid parameter representations by artificial neural networks | 2.4 | 266 | Citations (PDF) |
| 360 | NMR Structure Determination of Saccharose and Raffinose by Means of Homo- and Heteronuclear Dipolar Couplings | 1.8 | 52 | Citations (PDF) |
| 361 | Title is missing! | 2.0 | 75 | Citations (PDF) |
| 362 | Title is missing! | 2.0 | 91 | Citations (PDF) |
| 363 | Neural Network Prediction of 13C NMR Chemical Shifts of Substituted Benzenes | 1.7 | 8 | Citations (PDF) |
| 364 | Bestimmung der | 1.7 | 9 | Citations (PDF) |
| 365 | Psychomotor impairments and therapeutic implications revealed by a mutation associated with infantile Parkinsonism-Dystonia | 1.6 | 22 | Citations (PDF) |
| 366 | Structure and physiological function of the human KCNQ1 channel voltage sensor intermediate state | 1.6 | 50 | Citations (PDF) |
| 367 | Allosteric mechanism for KCNE1 modulation of KCNQ1 potassium channel activation | 1.6 | 37 | Citations (PDF) |
| 368 | Antibodies: Computer-Aided Prediction of Structure and Design of Function 0, , 173-190 | | 1 | Citations (PDF) |
| 369 | Binding of Natural Peptide Ligands to the Neuropeptide Y5 Receptor | 1.5 | 0 | Citations (PDF) |
| 370 | Confirmation of association of <i>TGFBI</i> p.Ser591Phe mutation with variant lattice corneal dystrophy | 1.1 | 1 | Citations (PDF) |
| 371 | Sampling alternative conformational states of transporters and receptors with AlphaFold2 | 1.6 | 444 | Citations (PDF) |
| 372 | Heterogeneity of the GFP fitness landscape and data-driven protein design | 1.6 | 61 | Citations (PDF) |
| 373 | Antigenic mapping and functional characterization of human New World hantavirus neutralizing antibodies | 1.6 | 26 | Citations (PDF) |
