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Ab initio fragment molecular orbital (FMO) method applied to analysis of the ligand-protein interaction in a pheromone-binding protein.

, , , , , and . Comput. Biol. Chem., 29 (6): 434-439 (2005)

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Fragment Molecular Orbital method-based Molecular Dynamics (FMO-MD) as a simulator for chemical reactions in explicit solvation., , , , and . J. Comput. Chem., 30 (1): 40-50 (2009)Intra- and intermolecular interactions between cyclic-AMP receptor protein and DNA: Ab initio fragment molecular orbital study., , , , , and . J. Comput. Chem., 28 (13): 2237-2239 (2007)Ab initio fragment molecular orbital (FMO) method applied to analysis of the ligand-protein interaction in a pheromone-binding protein., , , , , and . Comput. Biol. Chem., 29 (6): 434-439 (2005)Intra- and intermolecular interactions between cyclic-AMP receptor protein and DNA: Ab initio fragment molecular orbital study., , , , , and . J. Comput. Chem., 27 (8): 948-960 (2006)Parallel molecular dynamics simulation of a protein., , and . Parallel Comput., 27 (8): 977-987 (2001)Fast and accurate molecular dynamics simulation of a protein using a special-purpose computer., , , , , and . J. Comput. Chem., 18 (12): 1546-1563 (1997)Change in a protein's electronic structure induced by an explicit solvent: An ab initio fragment molecular orbital study of ubiquitin., , , and . J. Comput. Chem., 28 (10): 1750-1762 (2007)Water-mediated interactions in the CRP-cAMP-DNA complex: Does water mediate sequence-specific binding at the DNA primary-kink site?, , , , , and . Comput. Biol. Chem., 32 (3): 149-158 (2008)Fragment Molecular Orbital Based Interaction Analyses on COVID-19 Main Protease - Inhibitor N3 Complex (PDB ID: 6LU7)., , , , , , , and . J. Chem. Inf. Model., 60 (7): 3593-3602 (2020)