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Dissecting the Molecular Mechanism of Colistin Resistance in mcr-1 Bacteria., , and . J. Chem. Inf. Model., 60 (10): 4975-4984 (2020)Discovering Putative Protein Targets of Small Molecules: A Study of the p53 Activator Nutlin., , , , , , , , , and . J. Chem. Inf. Model., 59 (4): 1529-1546 (2019)AppA: a web server for analysis, comparison, and visualization of contact residues and interfacial waters of antibody-antigen structures and models., , and . Nucleic Acids Res., 47 (Webserver-Issue): W482-W489 (2019)Rclick: a web server for comparison of RNA 3D structures., and . Bioinform., 31 (6): 966-968 (2015)Structural dynamics and allostery of Rab proteins: strategies for drug discovery and design., , and . Briefings Bioinform., 22 (1): 270-287 (2021)Macrostate Identification from Biomolecular Simulations through Time Series Analysis., , , and . J. Chem. Inf. Model., 52 (9): 2319-2324 (2012)Peptide Inhibitors of Viral Assembly: A Novel Route to Broad-Spectrum Antivirals., , , and . J. Chem. Inf. Model., 52 (3): 770-776 (2012)Modulation of p53 binding to MDM2: computational studies reveal important roles of Tyr100., , and . BMC Bioinform., 10 (S-15): 6 (2009)Exploring Gatekeeper Mutations in EGFR through Computer Simulations., , and . J. Chem. Inf. Model., 59 (6): 2850-2858 (2019)Characterization of Hydration Properties in Structural Ensembles of Biomolecules., , , , , , and . J. Chem. Inf. Model., 59 (7): 3316-3329 (2019)