2009 |
8 | EE | Yuto Komeiji,
Takeshi Ishikawa,
Yuji Mochizuki,
Hiroshi Yamataka,
Tatsuya Nakano:
Fragment Molecular Orbital method-based Molecular Dynamics (FMO-MD) as a simulator for chemical reactions in explicit solvation.
Journal of Computational Chemistry 30(1): 40-50 (2009) |
2007 |
7 | EE | Kaori Fukuzawa,
Yuto Komeiji,
Yuji Mochizuki,
Akifumi Kato,
Tatsuya Nakano,
Shigenori Tanaka:
Intra- and intermolecular interactions between cyclic-AMP receptor protein and DNA: Ab initio fragment molecular orbital study.
Journal of Computational Chemistry 28(13): 2237-2239 (2007) |
2006 |
6 | EE | Shinji Amari,
Masahiro Aizawa,
Junwei Zhang,
Kaori Fukuzawa,
Yuji Mochizuki,
Yoshio Iwasawa,
Kotoko Nakata,
Hiroshi Chuman,
Tatsuya Nakano:
VISCANA: Visualized Cluster Analysis of Protein-Ligand Interaction Based on the ab Initio Fragment Molecular Orbital Method for Virtual Ligand Screening.
Journal of Chemical Information and Modeling 46(1): 221-230 (2006) |
5 | EE | Kaori Fukuzawa,
Yuto Komeiji,
Yuji Mochizuki,
Akifumi Kato,
Tatsuya Nakano,
Shigenori Tanaka:
Intra- and intermolecular interactions between cyclic-AMP receptor protein and DNA: Ab initio fragment molecular orbital study.
Journal of Computational Chemistry 27(8): 948-960 (2006) |
2005 |
4 | EE | Kaori Fukuzawa,
Kazuo Kitaura,
Masami Uebayasi,
Kotoko Nakata,
Tsuguchika Kaminuma,
Tatsuya Nakano:
Ab initio quantum mechanical study of the binding energies of human estrogen receptor with its ligands: An application of fragment molecular orbital method.
Journal of Computational Chemistry 26(1): 1-10 (2005) |
2004 |
3 | EE | Junwei Zhang,
Masahiro Aizawa,
Shinji Amari,
Yoshio Iwasawa,
Tatsuya Nakano,
Kotoko Nakata:
Development of KiBank, a database supporting structure-based drug design.
Computational Biology and Chemistry 28(5-6): 401-407 (2004) |
2002 |
2 | | Kotoko Nakata,
Takako Takai-Igarashi,
Tatsuya Nakano,
Tsuguchika Kaminuma:
An Integrated Receptor Database (IRDB).
Data Science Journal 1(2): 140-145 (2002) |
2001 |
1 | EE | Yuichi Inadomi,
Tatsuya Nakano,
Kazuo Kitaura,
Umpei Nagashima:
Increased Efficiency of Parallel Calculations of Fragment Molecular Orbitals by Using Fine-Grained Parallelization on a HITACHI SR8000 Supercomputer.
HPCN Europe 2001: 569-572 |