# | Title | Journal | Year | Citations |
---|
1 | OPM database and PPM web server: resources for positioning of proteins in membranes | Nucleic Acids Research | 2012 | 1,572 |
2 | Development of polyphosphate parameters for use with the AMBER force field | Journal of Computational Chemistry | 2003 | 604 |
3 | Lipid storage disorders block lysosomal trafficking by inhibiting a TRP channel and lysosomal calcium release | Nature Communications | 2012 | 387 |
4 | Menin-MLL inhibitors reverse oncogenic activity of MLL fusion proteins in leukemia | Nature Chemical Biology | 2012 | 349 |
5 | Protein flexibility and drug design: how to hit a moving target | Current Opinion in Chemical Biology | 2002 | 301 |
6 | Biosynthetic Pathway and Gene Cluster Analysis of Curacin A, an Antitubulin Natural Product from the Tropical Marine Cyanobacterium Lyngbya majuscula | Journal of Natural Products | 2004 | 286 |
7 | Design, Synthesis, and Antiviral Evaluations of 1-(Substituted benzyl)-2-substituted-5,6-dichlorobenzimidazoles as Nonnucleoside Analogues of 2,5,6-Trichloro-1-(β-d-ribofuranosyl)benzimidazole | Journal of Medicinal Chemistry | 1998 | 257 |
8 | Binding MOAD (Mother Of All Databases) | Proteins: Structure, Function and Bioinformatics | 2005 | 236 |
9 | Protein disulfide isomerase: a promising target for cancer therapy | Drug Discovery Today | 2014 | 223 |
10 | Design of Triazole-Stapled BCL9 α-Helical Peptides to Target the β-Catenin/B-Cell CLL/lymphoma 9 (BCL9) Protein–Protein Interaction | Journal of Medicinal Chemistry | 2012 | 221 |
11 | Inhibition of Soluble Guanylate Cyclase by ODQ | Biochemistry | 2000 | 208 |
12 | Synthesis of [18F]Arenes via the Copper-Mediated [18F]Fluorination of Boronic Acids | Organic Letters | 2015 | 199 |
13 | Identification and Characterization of Bacterial Cutinase | Journal of Biological Chemistry | 2008 | 195 |
14 | Design, Synthesis, and Antiviral Activity of Certain 2,5,6-Trihalo-1-(.beta.-D-ribofuranosyl)benzimidazoles | Journal of Medicinal Chemistry | 1995 | 185 |
15 | Detoxifying Escherichia coli for endotoxin-free production of recombinant proteins | Microbial Cell Factories | 2015 | 178 |
16 | D3R grand challenge 2015: Evaluation of protein–ligand pose and affinity predictions | Journal of Computer-Aided Molecular Design | 2016 | 178 |
17 | Metamorphic enzyme assembly in polyketide diversification | Nature | 2009 | 165 |
18 | Purification and Functional Reconstitution of Monomeric μ-Opioid Receptors | Journal of Biological Chemistry | 2009 | 159 |
19 | The Future of Aminoglycosides: The End or Renaissance? | ChemBioChem | 2010 | 157 |
20 | High-Affinity, Small-Molecule Peptidomimetic Inhibitors of MLL1/WDR5 Protein–Protein Interaction | Journal of the American Chemical Society | 2013 | 157 |
21 | Injectable controlled release depots for large molecules | Journal of Controlled Release | 2014 | 157 |
22 | Rifamycins – Obstacles and opportunities | Tuberculosis | 2010 | 155 |
23 | Merging the potential of microbial genetics with biological and chemical diversity: an even brighter future for marine natural product drug discovery | Natural Product Reports | 2004 | 144 |
24 | SARS-CoV-2 drives JAK1/2-dependent local complement hyperactivation | Science Immunology | 2021 | 144 |
25 | Targeting transcriptional regulation of SARS-CoV-2 entry factorsACE2andTMPRSS2 | Proceedings of the National Academy of Sciences of the United States of America | 2021 | 142 |
26 | Nanoscale synthesis and affinity ranking | Nature | 2018 | 138 |
27 | Discovery of Highly Potent and Efficient PROTAC Degraders of Androgen Receptor (AR) by Employing Weak Binding Affinity VHL E3 Ligase Ligands | Journal of Medicinal Chemistry | 2019 | 138 |
28 | Inhibition of purine nucleoside phosphorylase by 8-aminoguanosine: selective toxicity for T lymphoblasts | Science | 1981 | 136 |
29 | New Insights into Fluoroquinolone Resistance in Mycobacterium tuberculosis: Functional Genetic Analysis of gyrA and gyrB Mutations | PLoS ONE | 2012 | 134 |
30 | Biosynthetic Analysis of the Petrobactin Siderophore Pathway from Bacillusanthracis | Journal of Bacteriology | 2007 | 133 |
31 | Exploring Experimental Sources of Multiple Protein Conformations in Structure-Based Drug Design | Journal of the American Chemical Society | 2007 | 133 |
32 | CSAR Benchmark Exercise of 2010: Selection of the Protein–Ligand Complexes | Journal of Chemical Information and Modeling | 2011 | 133 |
33 | CSAR Benchmark Exercise of 2010: Combined Evaluation Across All Submitted Scoring Functions | Journal of Chemical Information and Modeling | 2011 | 133 |
34 | Anisotropic Solvent Model of the Lipid Bilayer. 2. Energetics of Insertion of Small Molecules, Peptides, and Proteins in Membranes | Journal of Chemical Information and Modeling | 2011 | 131 |
35 | Redefining the Requisite Lipopolysaccharide Structure in Escherichia coli | ACS Chemical Biology | 2006 | 129 |
36 | Discovery of a Nanomolar Inhibitor of the Human Murine Double Minute 2 (MDM2)−p53 Interaction through an Integrated, Virtual Database Screening Strategy | Journal of Medicinal Chemistry | 2006 | 124 |
37 | CSAR Benchmark Exercise 2011–2012: Evaluation of Results from Docking and Relative Ranking of Blinded Congeneric Series | Journal of Chemical Information and Modeling | 2013 | 124 |
38 | Morphological cell profiling of SARS-CoV-2 infection identifies drug repurposing candidates for COVID-19 | Proceedings of the National Academy of Sciences of the United States of America | 2021 | 124 |
39 | Synthesis and Antiviral Activity of Novel Erythrofuranosyl Imidazo[1,2-a]pyridine C-Nucleosides Constructed via Palladium Coupling of Iodoimidazo[1,2-a]pyridines and Dihydrofuran | Journal of Medicinal Chemistry | 2003 | 120 |
40 | Predicting pKa | Journal of Chemical Information and Modeling | 2009 | 120 |
41 | Protein Flexibility is an Important Component of Structure-Based Drug Discovery | Current Pharmaceutical Design | 2002 | 119 |
42 | Synthesis of 2,4-disubstituted thiazoles and selenazoles as potential antitumor and antifilarial agents. 1. Methyl 4-(isothiocyanatomethyl)thiazole-2-carbamates, -selenazole-2-carbamates, and related derivatives | Journal of Medicinal Chemistry | 1993 | 116 |
43 | Incorporating Protein Flexibility in Structure-Based Drug Discovery: Using HIV-1 Protease as a Test Case | Journal of the American Chemical Society | 2004 | 114 |
44 | Development of a Highly Selective c-Src Kinase Inhibitor | ACS Chemical Biology | 2012 | 113 |
45 | Pharmaceutical diversification via palladium oxidative addition complexes | Science | 2019 | 112 |
46 | Gaussian-Weighted RMSD Superposition of Proteins: A Structural Comparison for Flexible Proteins and Predicted Protein Structures | Biophysical Journal | 2006 | 110 |
47 | Full Protein Flexibility Is Essential for Proper Hot-Spot Mapping | Journal of the American Chemical Society | 2011 | 109 |
48 | Unusual regioversatility of acetyltransferase Eis, a cause of drug resistance in XDR-TB | Proceedings of the National Academy of Sciences of the United States of America | 2011 | 108 |
49 | Protein flexibility in docking and surface mapping | Quarterly Reviews of Biophysics | 2012 | 108 |
50 | The role of hydrophobic interactions in positioning of peripheral proteins in membranes | BMC Structural Biology | 2007 | 107 |