From post

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

, , , и . HPCN Europe, том 2110 из Lecture Notes in Computer Science, стр. 569-572. Springer, (2001)

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed.

 

Другие публикации лиц с тем же именем

Ab initio quantum mechanical study of the binding energies of human estrogen receptor with its ligands: An application of fragment molecular orbital method., , , , , и . J. Comput. Chem., 26 (1): 1-10 (2005)Accuracy of the three-body fragment molecular orbital method applied to Møller-Plesset perturbation theory., , , , , и . J. Comput. Chem., 28 (9): 1476-1484 (2007)Binding Free Energy Calculations of Adenosine Deaminase Inhibitor and the Effect of Methyl Substitution in Inhibitors., , и . Journal of Chemical Information and Modeling, 49 (3): 615-622 (2009)Ab initio fragment molecular orbital (FMO) method applied to analysis of the ligand-protein interaction in a pheromone-binding protein., , , , , и . Comput. Biol. Chem., 29 (6): 434-439 (2005)Polarizable continuum model with the fragment molecular orbital-based time-dependent density functional theory., , и . J. Comput. Chem., 29 (16): 2667-2676 (2008)A new hierarchical parallelization scheme: Generalized distributed data interface (GDDI), and an application to the fragment molecular orbital method (FMO)., , , , и . J. Comput. Chem., 25 (6): 872-880 (2004)Fragment molecular orbital study of the electronic excitations in the photosynthetic reaction center of Blastochloris viridis., , , , , , , и . J. Comput. Chem., 31 (2): 447-454 (2010)Increased Efficiency of Parallel Calculations of Fragment Molecular Orbitals by Using Fine-Grained Parallelization on a HITACHI SR8000 Supercomputer., , , и . HPCN Europe, том 2110 из Lecture Notes in Computer Science, стр. 569-572. Springer, (2001)Ligand shape emerges in solvent dipole ordering region at ligand binding site of protein., , , и . J. Comput. Chem., 31 (4): 791-796 (2010)Pair interaction energy decomposition analysis., и . J. Comput. Chem., 28 (1): 222-237 (2007)