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The MPSim-Dock hierarchical docking algorithm: Application to the eight trypsin inhibitor cocrystals., , , , , , and . J. Comput. Chem., 26 (1): 48-71 (2005)Target-Specific Drug Design Method Combining Deep Learning and Water Pharmacophore., , , , and . J. Chem. Inf. Model., 61 (1): 36-45 (2021)Correlation between Performance of QM/MM Docking and Simple Classification of Binding Sites., , and . Journal of Chemical Information and Modeling, 49 (10): 2382-2387 (2009)Integrated Modeling Program, Applied Chemical Theory (IMPACT)., , , , , , , , , and 8 other author(s). J. Comput. Chem., 26 (16): 1752-1780 (2005)Extension of QM/MM docking and its applications to metalloproteins., and . J. Comput. Chem., 30 (16): 2609-2616 (2009)Combining QM/MM Calculations with Classical Mining Minima to Predict Protein-Ligand Binding Free Energy., , and . J. Chem. Inf. Model., 63 (9): 2728-2734 (May 2023)Correction to "Combining QM/MM Calculations with Classical Mining Minima to Predict Protein-Ligand Binding Free Energy"., , and . J. Chem. Inf. Model., 64 (3): 1105 (2024)QM/MM based 3D QSAR models for potent B-Raf inhibitors., , , , and . J. Comput. Aided Mol. Des., 24 (5): 385-397 (2010)Elucidation of Allosteric Inhibition Mechanism of 2-Cys Human Peroxiredoxin by Molecular Modeling., , and . J. Chem. Inf. Model., 52 (12): 3278-3283 (2012)Importance of accurate charges in molecular docking: Quantum mechanical/molecular mechanical (QM/MM) approach., , , and . J. Comput. Chem., 26 (9): 915-931 (2005)