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Identification of Conserved Water Sites in Protein Structures for Drug Design.

, , , and . J. Chem. Inf. Model., 57 (12): 3094-3103 (December 2017)

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A Branch and Bound Algorithm for Matching Protein Structures., and . ICANNGA (2), volume 4432 of Lecture Notes in Computer Science, page 399-406. Springer, (2007)Correlating Protein Hot Spot Surface Analysis Using ProBiS with Simulated Free Energies of Protein-Protein Interfacial Residues., , , , , and . Journal of Chemical Information and Modeling, 52 (10): 2541-2549 (2012)Deep node ranking for neuro-symbolic structural node embedding and classification., , , , and . Int. J. Intell. Syst., 37 (1): 914-943 (2022)ProBiS-2012: web server and web services for detection of structurally similar binding sites in proteins., and . Nucleic Acids Res., 40 (Web-Server-Issue): 214-221 (2012)ProBiS-ligands: a web server for prediction of ligands by examination of protein binding sites., and . Nucleic Acids Res., 42 (Webserver-Issue): 215-220 (2014)ProBiS-CHARMMing: Web Interface for Prediction and Optimization of Ligands in Protein Binding Sites., , , , , , and . Journal of Chemical Information and Modeling, 55 (11): 2308-2314 (2015)Molecular dynamics to enhance structure-based virtual screening on cathepsin B., , , , , , , , , and . J. Comput. Aided Mol. Des., 29 (8): 707-712 (2015)ProBiS: a web server for detection of structurally similar protein binding sites., and . Nucleic Acids Res., 38 (Web-Server-Issue): 436-440 (2010)LiSiCA: A Software for Ligand-Based Virtual Screening and Its Application for the Discovery of Butyrylcholinesterase Inhibitors., , , , , , and . J. Chem. Inf. Model., 55 (8): 1521-1528 (2015)Discovery of Novel Potential Human Targets of Resveratrol by Inverse Molecular Docking., , , , and . J. Chem. Inf. Model., 59 (5): 2467-2478 (2019)