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Increased Efficiency of Parallel Calculations of Fragment Molecular Orbitals by Using Fine-Grained Parallelization on a HITACHI SR8000 Supercomputer.

, , , and . HPCN Europe, volume 2110 of Lecture Notes in Computer Science, page 569-572. Springer, (2001)

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Increased Efficiency of Parallel Calculations of Fragment Molecular Orbitals by Using Fine-Grained Parallelization on a HITACHI SR8000 Supercomputer., , , and . HPCN Europe, volume 2110 of Lecture Notes in Computer Science, page 569-572. Springer, (2001)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)Development of KiBank, a database supporting structure-based drug design., , , , , and . Comput. Biol. Chem., 28 (5-6): 401-407 (2004)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 quantum mechanical study of the binding energies of human estrogen receptor with its ligands: An application of fragment molecular orbital method., , , , , and . J. Comput. Chem., 26 (1): 1-10 (2005)An Integrated Receptor Database (IRDB)., , , and . Data Sci. J., 1 (2): 140-145 (2002)VISCANA: Visualized Cluster Analysis of Protein-Ligand Interaction Based on the ab Initio Fragment Molecular Orbital Method for Virtual Ligand Screening., , , , , , , , and . J. Chem. Inf. Model., 46 (1): 221-230 (2006)Fragmentation at sp2 carbon atoms in fragment molecular orbital method., , , , and . J. Comput. Chem., 41 (15): 1416-1420 (2020)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)