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Accuracy of the three-body fragment molecular orbital method applied to Møller-Plesset perturbation theory.

, , , , , and . Journal of Computational Chemistry, 28 (9): 1476-1484 (2007)

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Accuracy of the three-body fragment molecular orbital method applied to Møller-Plesset perturbation theory., , , , , and . Journal of Computational Chemistry, 28 (9): 1476-1484 (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 . Journal of Computational Chemistry, 26 (1): 1-10 (2005)Binding Free Energy Calculations of Adenosine Deaminase Inhibitor and the Effect of Methyl Substitution in Inhibitors., , and . Journal of Chemical Information and Modeling, 49 (3): 615-622 (2009)A new hierarchical parallelization scheme: Generalized distributed data interface (GDDI), and an application to the fragment molecular orbital method (FMO)., , , , and . Journal of Computational Chemistry, 25 (6): 872-880 (2004)Polarizable continuum model with the fragment molecular orbital-based time-dependent density functional theory., , and . Journal of Computational Chemistry, 29 (16): 2667-2676 (2008)Fragment molecular orbital study of the electronic excitations in the photosynthetic reaction center of Blastochloris viridis., , , , , , , and . Journal of Computational Chemistry, 31 (2): 447-454 (2010)Ab initio fragment molecular orbital (FMO) method applied to analysis of the ligand-protein interaction in a pheromone-binding protein., , , , , and . Computational Biology and Chemistry, 29 (6): 434-439 (2005)Pair interaction energy decomposition analysis., and . Journal of Computational Chemistry, 28 (1): 222-237 (2007)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)Importance of CH/π hydrogen bonds in recognition of the core motif in proline-recognition domains: An Ab initio fragment molecular orbital study., , and . Journal of Computational Chemistry, 32 (13): 2774-2782 (2011)