| Fragment molecular orbital method: an approximate computational method for large molecules K Kitaura, E Ikeo, T Asada, T Nakano, M Uebayasi Chemical Physics Letters 313 (3-4), 701-706, 1999 | 1460 | 1999 |
| Fragment molecular orbital method: use of approximate electrostatic potential T Nakano, T Kaminuma, T Sato, K Fukuzawa, Y Akiyama, M Uebayasi, ... Chemical Physics Letters 351 (5-6), 475-480, 2002 | 471 | 2002 |
| Fragment molecular orbital method: application to polypeptides T Nakano, T Kaminuma, T Sato, Y Akiyama, M Uebayasi, K Kitaura Chemical Physics Letters 318 (6), 614-618, 2000 | 408 | 2000 |
| Pair interaction molecular orbital method: an approximate computational method for molecular interactions K Kitaura, T Sawai, T Asada, T Nakano, M Uebayasi Chemical Physics Letters 312 (2-4), 319-324, 1999 | 345 | 1999 |
| HIV protease inhibitor nelfinavir inhibits replication of SARS-associated coronavirus N Yamamoto, R Yang, Y Yoshinaka, S Amari, T Nakano, J Cinatl, ... Biochemical and biophysical research communications 318 (3), 719-725, 2004 | 339 | 2004 |
| Fragment molecular orbital method: analytical energy gradients K Kitaura, SI Sugiki, T Nakano, Y Komeiji, M Uebayasi Chemical physics letters 336 (1-2), 163-170, 2001 | 250 | 2001 |
| Large scale MP2 calculations with fragment molecular orbital scheme Y Mochizuki, S Koikegami, T Nakano, S Amari, K Kitaura Chemical Physics Letters 396 (4-6), 473-479, 2004 | 214 | 2004 |
| A parallelized integral-direct second-order Møller–Plesset perturbation theory method with a fragment molecular orbital scheme Y Mochizuki, T Nakano, S Koikegami, S Tanimori, Y Abe, U Nagashima, ... Theoretical Chemistry Accounts 112, 442-452, 2004 | 177 | 2004 |
| Unsteady three-dimensional flow phenomena due to breakdown of tip leakage vortex in a transonic axial compressor rotor K Yamada, M Furukawa, T Nakano, M Inoue, K Funazaki Turbo Expo: Power for Land, Sea, and Air 41707, 515-526, 2004 | 169 | 2004 |
| VISCANA: visualized cluster analysis of protein− ligand interaction based on the ab initio fragment molecular orbital method for virtual ligand screening S Amari, M Aizawa, J Zhang, K Fukuzawa, Y Mochizuki, Y Iwasawa, ... Journal of Chemical Information and modeling 46 (1), 221-230, 2006 | 161 | 2006 |
| Cross-condensation reactions of cycloalkanones with aldehydes and primary alcohols under the influence of zirconocene complexes T Nakano, S Irifune, S Umano, A Inada, Y Ishii, M Ogawa The Journal of Organic Chemistry 52 (11), 2239-2244, 1987 | 141 | 1987 |
| Molecular interactions between estrogen receptor and its ligand studied by the ab initio fragment molecular orbital method K Fukuzawa, Y Mochizuki, S Tanaka, K Kitaura, T Nakano The Journal of Physical Chemistry B 110 (32), 16102-16110, 2006 | 140 | 2006 |
| Ab initio quantum mechanical study of the binding energies of human estrogen receptor α with its ligands: An application of fragment molecular orbital method K Fukuzawa, K Kitaura, M Uebayasi, K Nakata, T Kaminuma, T Nakano Journal of computational chemistry 26 (1), 1-10, 2005 | 137 | 2005 |
| Large scale FMO-MP2 calculations on a massively parallel-vector computer Y Mochizuki, K Yamashita, T Murase, T Nakano, K Fukuzawa, ... Chemical Physics Letters 457 (4-6), 396-403, 2008 | 133 | 2008 |
| Fragment molecular orbital method: application to molecular dynamics simulation,‘ab initio FMO-MD’ Y Komeiji, T Nakano, K Fukuzawa, Y Ueno, Y Inadomi, T Nemoto, ... Chemical physics letters 372 (3-4), 342-347, 2003 | 128 | 2003 |
| Configuration interaction singles method with multilayer fragment molecular orbital scheme Y Mochizuki, S Koikegami, S Amari, K Segawa, K Kitaura, T Nakano Chemical physics letters 406 (4-6), 283-288, 2005 | 123 | 2005 |
| Characteristics of postictal headache in patients with partial epilepsy M Ito, N Adachi, F Nakamura, T Koyama, T Okamura, M Kato, K Kanemoto, ... Cephalalgia 24 (1), 23-28, 2004 | 120 | 2004 |
| Intra‐ and intermolecular interactions between cyclic‐AMP receptor protein and DNA: Ab initio fragment molecular orbital study K Fukuzawa, Y Komeiji, Y Mochizuki, A Kato, T Nakano, S Tanaka Journal of computational chemistry 27 (8), 948-960, 2006 | 114 | 2006 |
| A configuration analysis for fragment interaction Y Mochizuki, K Fukuzawa, A Kato, S Tanaka, K Kitaura, T Nakano Chemical physics letters 410 (4-6), 247-253, 2005 | 102 | 2005 |
| Definition of molecular orbitals in fragment molecular orbital method Y Inadomi, T Nakano, K Kitaura, U Nagashima Chemical Physics Letters 364 (1-2), 139-143, 2002 | 98 | 2002 |
Yuji MochizukiRikkyo University, ProfessorBestätigte E-Mail-Adresse bei rikkyo.ac.jp
