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Knowledge-Based Scoring Functions in Drug Design: 2. Can the Knowledge Base Be Enriched?, , , , , , , , , and 1 other author(s). Journal of Chemical Information and Modeling, 51 (2): 386-397 (2011)An effective docking strategy for virtual screening based on multi-objective optimization algorithm., , , , , , , and . BMC Bioinformatics, (2009)QSAR analyses on avian influenza virus neuraminidase inhibitors using CoMFA, CoMSIA, and HQSAR., , , , , , and . Journal of Computer-Aided Molecular Design, 20 (9): 549-566 (2006)Computational Screening for Active Compounds Targeting Protein Sequences: Methodology and Experimental Validation., , , , , , , , , and . Journal of Chemical Information and Modeling, 51 (11): 2821-2828 (2011)In silico site of metabolism prediction for human UGT-catalyzed reactions., , , , , , , and . Bioinformatics, 30 (3): 398-405 (2014)Mutagenic probability estimation of chemical compounds by a novel molecular electrophilicity vector and support vector machine., , , , , , and . Bioinformatics, 22 (17): 2099-2106 (2006)Multi-instance learning of graph neural networks for aqueous pKa prediction., , , , , , , , , and 2 other author(s). Bioinform., 38 (3): 792-798 (2022)A quantum mechanics/molecular mechanics study on the hydrolysis mechanism of New Delhi metallo-β-lactamase-1., , , , , , , , , and 2 other author(s). Journal of Computer-Aided Molecular Design, 27 (3): 247-256 (2013)Unbinding Pathways of GW4064 from Human Farnesoid X Receptor As Revealed by Molecular Dynamics Simulations., , , , , , and . Journal of Chemical Information and Modeling, 52 (11): 3043-3052 (2012)Knowledge-Based Scoring Functions in Drug Design. 1. Developing a Target-Specific Method for Kinase-Ligand Interactions., , , , , and . Journal of Chemical Information and Modeling, 50 (8): 1378-1386 (2010)