Increased Efficiency of Parallel Calculations of Fragment Molecular Orbitals by Using Fine-Grained Parallelization on a HITACHI SR8000 Supercomputer. - Yuichi Inadomi; Tatsuya Nakano; Kazuo Kitaura; Umpei Nagashima (HPCN Europe, 2001)

An Integrated Receptor Database (IRDB). - Kotoko Nakata; Takako Takai-Igarashi; Tatsuya Nakano; Tsuguchika Kaminuma (Data Sci. J., 2002)

Development of KiBank, a database supporting structure-based drug design. - Junwei Zhang; Masahiro Aizawa; Shinji Amari; Yoshio Iwasawa; Tatsuya Nakano; Kotoko Nakata (Comput. Biol. Chem., 2004)

Ab initio quantum mechanical study of the binding energies of human estrogen receptor with its ligands: An application of fragment molecular orbital method. - Kaori Fukuzawa; Kazuo Kitaura; Masami Uebayasi; Kotoko Nakata; Tsuguchika Kaminuma; Tatsuya Nakano (J. Comput. Chem., 2005)

Intra- and intermolecular interactions between cyclic-AMP receptor protein and DNA: Ab initio fragment molecular orbital study. - Kaori Fukuzawa; Yuto Komeiji; Yuji Mochizuki; Akifumi Kato; Tatsuya Nakano; Shigenori Tanaka (J. Comput. Chem., 2006)

VISCANA: Visualized Cluster Analysis of Protein-Ligand Interaction Based on the ab Initio Fragment Molecular Orbital Method for Virtual Ligand Screening. - Shinji Amari; Masahiro Aizawa; Junwei Zhang; Kaori Fukuzawa; Yuji Mochizuki; Yoshio Iwasawa; Kotoko Nakata; Hiroshi Chuman; Tatsuya Nakano (J. Chem. Inf. Model., 2006)

Intra- and intermolecular interactions between cyclic-AMP receptor protein and DNA: Ab initio fragment molecular orbital study. - Kaori Fukuzawa; Yuto Komeiji; Yuji Mochizuki; Akifumi Kato; Tatsuya Nakano; Shigenori Tanaka (J. Comput. Chem., 2007)

Fragment Molecular Orbital method-based Molecular Dynamics (FMO-MD) as a simulator for chemical reactions in explicit solvation. - Yuto Komeiji; Takeshi Ishikawa; Yuji Mochizuki; Hiroshi Yamataka; Tatsuya Nakano (J. Comput. Chem., 2009)

Fragmentation at sp2 carbon atoms in fragment molecular orbital method. - Yoshinobu Akinaga; Koichiro Kato; Tatsuya Nakano; Kaori Fukuzawa; Yuji Mochizuki (J. Comput. Chem., 2020)

Particle Filter Based Pedestrian Tracking Using Point Cloud toward Obstacle Avoidance Control*. - Ryota Narita; Tatsuya Nakano; Kazuma Sekiguchi; Kenichiro Nonaka (IECON, 2024)

Size-consistency and orbital-invariance issues revealed by VQE-UCCSD calculations with the FMO scheme. - Kenji Sugisaki; Tatsuya Nakano; Yuji Mochizuki (J. Comput. Chem., 2024)

Geometry Optimization Using the Frozen Domain and Partial Dimer Approaches in the Fragment Molecular Orbital Method: Implementation, Benchmark, and Applications to Protein Ligand-Binding Sites. - Koji Okuwaki; Naoki Watanabe; Koichiro Kato; Chiduru Watanabe; Naofumi Nakayama; Akifumi Kato; Yuji Mochizuki; Tatsuya Nakano; Teruki Honma; Kaori Fukuzawa (J. Chem. Inf. Model., 2024)

Large-Scale FMO-MP2 Calculations of the Spike Protein Droplet Model. - Hideo Doi; Tatsuya Nakano; Kota Sakakura; Kazuki Akisawa; Koji Okuwaki; Yoshinori Hirano; Eiji Yamamoto; Kenji Yasuoka; Satoshi Ohshima; Takahiro Katagiri; Yuji Mochizuki (J. Comput. Chem., 2025)