| 1 | CellVis2: a conference on visualizing the molecular cell | 6.7 | 0 | Citations (PDF) |
| 2 | Richard Lerner's Bioinspiration: Biomolecular Visualization and Modeling at Scripps Research | 2.0 | 0 | Citations (PDF) |
| 3 | Multiplayer virtual reality for understanding biomolecular structures | 6.7 | 1 | Citations (PDF) |
| 4 | Building Structural Models of a Whole Mycoplasma Cell | 4.1 | 72 | Citations (PDF) |
| 5 | Structure-based virtual screening workflow to identify antivirals targeting HIV-1 capsid | 2.4 | 8 | Citations (PDF) |
| 6 | Review: Integrative Structural Modeling and Visualization of a Cellular Organelle — R0/PR1 2022, , | | 0 | Citations (PDF) |
| 7 | Review: Integrative Structural Modeling and Visualization of a Cellular Organelle — R0/PR2 2022, , | | 0 | Citations (PDF) |
| 8 | TheAutoDocksuite at 30 | 5.9 | 213 | Citations (PDF) |
| 9 | Icosahedral virus structures and the protein data bank | 2.2 | 33 | Citations (PDF) |
| 10 | CellPAINT: Turnkey Illustration of Molecular Cell Biology | 3.3 | 25 | Citations (PDF) |
| 11 | Art and Science of the Cellular Mesoscale | 6.7 | 44 | Citations (PDF) |
| 12 | Intrabacterial Metabolism Obscures the Successful Prediction of an InhA Inhibitor of Mycobacterium tuberculosis | 3.6 | 28 | Citations (PDF) |
| 13 | Illustrate: Software for Biomolecular Illustration | 3.8 | 107 | Citations (PDF) |
| 14 | Integrative modeling of the HIV-1 ribonucleoprotein complex | 3.1 | 5 | Citations (PDF) |
| 15 | Novel Intersubunit Interaction Critical for HIV-1 Core Assembly Defines a Potentially Targetable Inhibitor Binding Pocket | 4.4 | 16 | Citations (PDF) |
| 16 | Massive-Scale Binding Free Energy Simulations of HIV Integrase Complexes Using Asynchronous Replica Exchange Framework Implemented on the IBM WCG Distributed Network | 4.5 | 6 | Citations (PDF) |
| 17 | Parallel Generation and Visualization of Bacterial Genome Structures | 1.4 | 11 | Citations (PDF) |
| 18 | Instant Construction and Visualization of Crowded Biological Environments | 2.8 | 45 | Citations (PDF) |
| 19 | Lattice Models of Bacterial Nucleoids | 2.7 | 27 | Citations (PDF) |
| 20 | CellPAINT: Interactive Illustration of Dynamic Mesoscale Cellular Environments | 0.4 | 42 | Citations (PDF) |
| 21 | Perspectives on Structural Molecular Biology Visualization: From Past to Present | 4.1 | 74 | Citations (PDF) |
| 22 | Flap‐site Fragment Restores Back Wild‐type Behaviour in Resistant Form of HIV Protease | 2.5 | 4 | Citations (PDF) |
| 23 | Dense Array of Spikes on HIV-1 Virion Particles | 3.6 | 70 | Citations (PDF) |
| 24 | A Self-Assisting Protein Folding Model for Teaching Structural Molecular Biology | 3.8 | 20 | Citations (PDF) |
| 25 | Fragment-Based Analysis of Ligand Dockings Improves Classification of Actives | 4.5 | 5 | Citations (PDF) |
| 26 | Covalent docking using autodock: Two‐point attractor and flexible side chain methods | 5.9 | 237 | Citations (PDF) |
| 27 | A New Class of Allosteric HIV-1 Integrase Inhibitors Identified by Crystallographic Fragment Screening of the Catalytic Core Domain | 2.2 | 26 | Citations (PDF) |
| 28 | Challenges in structural approaches to cell modeling | 4.1 | 61 | Citations (PDF) |
| 29 | Proteome-wide covalent ligand discovery in native biological systems | 37.9 | 936 | Citations (PDF) |
| 30 | AutoDockFR: Advances in Protein-Ligand Docking with Explicitly Specified Binding Site Flexibility | 3.1 | 617 | Citations (PDF) |
| 31 | A Virtual Screen Discovers Novel, Fragment-Sized Inhibitors ofMycobacterium tuberculosisInhA | 4.5 | 35 | Citations (PDF) |
| 32 | Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease | 2.7 | 67 | Citations (PDF) |
| 33 | 3D molecular models of whole HIV-1 virions generated with cellPACK | 3.0 | 60 | Citations (PDF) |
| 34 | Virtual screening with AutoDock Vina and the common pharmacophore engine of a low diversity library of fragments and hits against the three allosteric sites of HIV integrase: participation in the SAMPL4 protein–ligand binding challenge | 2.4 | 46 | Citations (PDF) |
| 35 | Virtual screening of integrase inhibitors by large scale binding free energy calculations: the SAMPL4 challenge | 2.4 | 57 | Citations (PDF) |
| 36 | Blind prediction of HIV integrase binding from the SAMPL4 challenge | 2.4 | 59 | Citations (PDF) |
| 37 | AutoDock4Zn: An Improved AutoDock Force Field for Small-Molecule Docking to Zinc Metalloproteins | 4.5 | 303 | Citations (PDF) |
| 38 | cellPACK: a virtual mesoscope to model and visualize structural systems biology | 24.6 | 150 | Citations (PDF) |
| 39 | Small Molecule Regulation of Protein Conformation by Binding in the Flap of HIV Protease | 3.7 | 33 | Citations (PDF) |
| 40 | Automated Docking with Protein Flexibility in the Design of Femtomolar “Click Chemistry” Inhibitors of Acetylcholinesterase | 4.5 | 41 | Citations (PDF) |
| 41 | Protein Flexibility in Virtual Screening: The BACE-1 Case Study | 4.5 | 51 | Citations (PDF) |
| 42 | A Force Field with Discrete Displaceable Waters and Desolvation Entropy for Hydrated Ligand Docking | 5.6 | 275 | Citations (PDF) |
| 43 | Cyclin-dependent kinases 5 template: Useful for virtual screening | 6.3 | 2 | Citations (PDF) |
| 44 | Robust Scoring Functions for Protein–Ligand Interactions with Quantum Chemical Charge Models | 4.5 | 52 | Citations (PDF) |
| 45 | ePMV Embeds Molecular Modeling into Professional Animation Software Environments | 3.8 | 90 | Citations (PDF) |
| 46 | Structural basis for drug and substrate specificity exhibited by FIV encoding a chimeric FIV/HIV protease | 3.1 | 9 | Citations (PDF) |
| 47 | Small molecule peptidomimetic inhibitors of importin α/β mediated nuclear transport | 2.6 | 28 | Citations (PDF) |
| 48 | Visualization of macromolecular structures | 24.6 | 149 | Citations (PDF) |
| 49 | Virtual screening with AutoDock: theory and practice | 4.4 | 616 | Citations (PDF) |
| 50 | A Dynamic Model of HIV Integrase Inhibition and Drug Resistance | 4.1 | 64 | Citations (PDF) |
| 51 | Novel GABA-AT inhibitors: QSAR and docking based virtual screening of phenyl substituted β-phenyl ethylidene hydrazine analogues | 2.6 | 7 | Citations (PDF) |
| 52 | p38α MAP Kinase C-Terminal Domain Binding Pocket Characterized by Crystallographic and Computational Analyses | 4.1 | 54 | Citations (PDF) |
| 53 | Pursuing Aldose Reductase Inhibitors through in Situ Cross-Docking and Similarity-Based Virtual Screening | 5.6 | 38 | Citations (PDF) |
| 54 | Tandem Application of Virtual Screening and NMR Experiments in the Discovery of Brand New DNA Quadruplex Groove Binders | 15.0 | 91 | Citations (PDF) |
| 55 | Automated prediction of ligand‐binding sites in proteins | 2.6 | 176 | Citations (PDF) |
| 56 | Selection of phage-displayed peptides that bind to a particular ligand-bound antibody | 2.6 | 3 | Citations (PDF) |
| 57 | Functional Proteomic and Structural Insights into Molecular Recognition in the Nitrilase Family Enzymes | 2.4 | 58 | Citations (PDF) |
| 58 | Structure-Based Virtual Screening and Biological Evaluation of Mycobacterium tuberculosis Adenosine 5′-Phosphosulfate Reductase Inhibitors | 5.6 | 34 | Citations (PDF) |
| 59 | Structure-based Design, Synthesis, Evaluation, and Crystal Structures of Transition State Analogue Inhibitors of Inosine Monophosphate Cyclohydrolase | 2.2 | 11 | Citations (PDF) |
| 60 | Chemical mimicry of viral capsid self-assembly | 7.5 | 102 | Citations (PDF) |
| 61 | Mechanistic and structural requirements for active site labeling of phosphoglycerate mutase by spiroepoxides | 3.1 | 47 | Citations (PDF) |
| 62 | Remarkable Loop Flexibility in Avian Influenza N1 and Its Implications for Antiviral Drug Design | 15.0 | 163 | Citations (PDF) |
| 63 | Analysis of HIV Wild-Type and Mutant Structures via in Silico Docking against Diverse Ligand Libraries | 4.5 | 97 | Citations (PDF) |
| 64 | A novel neuroprotective agent with antioxidant and nitric oxide synthase inhibitory action | 2.6 | 20 | Citations (PDF) |
| 65 | Rapid Discovery and Structure−Activity Profiling of Novel Inhibitors of Human Immunodeficiency Virus Type 1 Protease Enabled by the Copper(I)-Catalyzed Synthesis of 1,2,3-Triazoles and Their Further Functionalization | 5.6 | 209 | Citations (PDF) |
| 66 | Discovery of Protein Phosphatase 2C Inhibitors by Virtual Screening | 5.6 | 67 | Citations (PDF) |
| 67 | Active site binding modes of curcumin in HIV-1 protease and integrase | 2.0 | 103 | Citations (PDF) |
| 68 | The Serine-rich Domain from Crk-associated Substrate (p130 ) Is a Four-helix Bundle | 2.2 | 31 | Citations (PDF) |
| 69 | Crystal Structure of Avian Aminoimidazole-4-carboxamide Ribonucleotide Transformylase in Complex with a Novel Non-folate Inhibitor Identified by Virtual Ligand Screening | 2.2 | 19 | Citations (PDF) |
| 70 | The Origin of Enantioselectivity in Aldolase Antibodies: Crystal Structure, Site-directed Mutagenesis, and Computational Analysis | 4.1 | 61 | Citations (PDF) |
| 71 | Virtual Screening of Human 5-Aminoimidazole-4-carboxamide Ribonucleotide Transformylase against the NCI Diversity Set by Use of AutoDock to Identify Novel Nonfolate Inhibitors† | 5.6 | 65 | Citations (PDF) |
| 72 | Structural mapping of CD134 residues critical for interaction with feline immunodeficiency virus | 8.8 | 52 | Citations (PDF) |
| 73 | Automated docking of ligands to an artificial active site: augmenting crystallographic analysis with computer modeling | 2.4 | 83 | Citations (PDF) |
| 74 | Design and synthesis of broad-Based mono- and bi- cyclic inhibitors of FIV and HIV proteases | 2.6 | 20 | Citations (PDF) |
| 75 | Selective Attenuation of the Extrinsic Limb of the Tissue Factor-Driven Coagulation Protease Cascade by Occupancy of a Novel Peptidyl Docking Site on Tissue Factor† | 2.4 | 7 | Citations (PDF) |
| 76 | Structural Basis for Distinctions between Substrate and Inhibitor Specificities for Feline Immunodeficiency Virus and Human Immunodeficiency Virus Proteases | 3.6 | 22 | Citations (PDF) |
| 77 | Automated docking to multiple target structures: Incorporation of protein mobility and structural water heterogeneity in AutoDock | 2.6 | 418 | Citations (PDF) |
| 78 | Recognition templates for predicting adenylate-binding sites in proteins | 4.1 | 16 | Citations (PDF) |
| 79 | Analysis of a data set of paired uncomplexed protein structures: New metrics for side-chain flexibility and model evaluation | 2.6 | 51 | Citations (PDF) |
| 80 | Transmembrane ?-helices in the gap junction membrane channel: Systematic search of packing models based on the pair potential function | 2.1 | 10 | Citations (PDF) |
| 81 | Identification and Analysis of the Acyl Carrier Protein (ACP) Docking Site on β-Ketoacyl-ACP Synthase III | 2.2 | 158 | Citations (PDF) |
| 82 | Viral Evolution in Response to the Broad-Based Retroviral Protease Inhibitor TL-3 | 3.6 | 29 | Citations (PDF) |
| 83 | A Study on Docking Mode of HIV Protease and Their Inhibitors. | 0.0 | 10 | Citations (PDF) |
| 84 | Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease 2000, 38, 29-40 | | 32 | Citations (PDF) |
| 85 | Ionization state and molecular docking studies for the macrophage migration inhibitory factor: the role of lysine 32 in the catalytic mechanism | 3.0 | 33 | Citations (PDF) |
| 86 | Structural Symmetry and Protein Function | 17.4 | 906 | Citations (PDF) |
| 87 | Alteration of Substrate and Inhibitor Specificity of Feline Immunodeficiency Virus Protease | 3.6 | 31 | Citations (PDF) |
| 88 | Revisiting Catalysis by Chymotrypsin Family Serine Proteases Using Peptide Substrates and Inhibitors with Unnatural Main Chains | 2.2 | 40 | Citations (PDF) |
| 89 | Coevolutionary analysis of resistance-evading peptidomimetic inhibitors of HIV-1 protease | 7.5 | 14 | Citations (PDF) |
| 90 | Modelling of Factor Xa-inhibitor complexes: a computational flexible docking approach | 2.6 | 50 | Citations (PDF) |
| 91 | Importance of Factor VIIa Gla-Domain Residue Arg-36 for Recognition of the Macromolecular Substrate Factor X Gla-Domain† | 2.4 | 55 | Citations (PDF) |
| 92 | Development of a New Type of Protease Inhibitors, Efficacious against FIV and HIV Variants | 15.0 | 56 | Citations (PDF) |
| 93 | Coevolution and subsite decomposition for the design of resistance-evading HIV-1 protease inhibitors 1 1Edited by F. E. Cohen | 4.1 | 13 | Citations (PDF) |
| 94 | Morphology of protein–protein interfaces | 3.8 | 223 | Citations (PDF) |
| 95 | Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function | 4.8 | 9,818 | Citations (PDF) |
| 96 | Interactive modeling of supramolecular assemblies | 2.7 | 7 | Citations (PDF) |
| 97 | Visualizing The Future of Molecular Graphics | 2.3 | 6 | Citations (PDF) |
| 98 | Automated Docking and the Search for HIV Protease Inhibitors | 2.3 | 25 | Citations (PDF) |
| 99 | Computational Coevolution of Antiviral Drug Resistance | 0.8 | 3 | Citations (PDF) |
| 100 | Residue-residue mean-force potentials for protein structure recognition | 2.6 | 49 | Citations (PDF) |
| 101 | Recognition of protein structure on coarse lattices with residue- residue energy functions | 2.6 | 8 | Citations (PDF) |
| 102 | Crystal Structures of the Inactive D30N Mutant of Feline Immunodeficiency Virus Protease Complexed with a Substrate and an Inhibitor†,‡ | 2.4 | 58 | Citations (PDF) |
| 103 | Lattice modeling: Accuracy of energy calculations | 4.8 | 5 | Citations (PDF) |
| 104 | Adjusting potential energy functions for lattice models of chain molecules 1996, 25, 379-388 | | 8 | Citations (PDF) |
| 105 | Building self-avoiding lattice models of proteins using a self-consistent field optimization 1996, 26, 1-8 | | 9 | Citations (PDF) |
| 106 | Automated docking of flexible ligands: Applications of autodock | 3.0 | 1,431 | Citations (PDF) |
| 107 | Distributed automated docking of flexible ligands to proteins: Parallel applications of AutoDock 2.4 | 2.4 | 961 | Citations (PDF) |
| 108 | Texture mapping parametric molecular surfaces | 2.7 | 15 | Citations (PDF) |
| 109 | Approximation and visualization of large-scale motion of protein surfaces | 2.7 | 19 | Citations (PDF) |
| 110 | Biomolecular visualization using AVS | 2.7 | 12 | Citations (PDF) |
| 111 | Constructing Lattice Models of Protein Chains with Side Groups | 1.5 | 13 | Citations (PDF) |
| 112 | Approximation and characterization of molecular surfaces | 2.9 | 114 | Citations (PDF) |
| 113 | Shape analysis of molecular surfaces | 2.9 | 77 | Citations (PDF) |
| 114 | Automated docking in crystallography: Analysis of the substrates of aconitase | 2.6 | 85 | Citations (PDF) |
| 115 | Soluble proteins: Size, shape and function | 6.7 | 96 | Citations (PDF) |
| 116 | Visualizing Biological Molecules | 0.1 | 31 | Citations (PDF) |
| 117 | Molecular illustration in black and white | 2.7 | 17 | Citations (PDF) |
| 118 | Automated docking of substrates to proteins by simulated annealing | 2.6 | 1,238 | Citations (PDF) |
| 119 | Inspiring discovery through reviews and visualization in biochemistry | 6.7 | 0 | Citations (PDF) |
