Takao Otsuka - researchr alias

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Viewing Publication 1 - 8 from 8

2026

2025

kMoL: an open-source machine and federated learning library for drug discoveryRomeo Cozac, Haris Hasic, Jun Jin Choong, Vincent Richard, Loic Beheshti, Cyrille Froehlich, Takuto Koyama, Shigeyuki Matsumoto, Ryosuke Kojima, Hiroaki Iwata, Aki Hasegawa, Takao Otsuka, Yasushi Okuno. jcheminf, 17(1):22, December 2025. [doi]

2018

Introduction of Prototype of Remote Type Automated Vehicle System by using Communication between Operator and Vehicles in Real EnvironmentNaohisa Hashimoto, Simon Thompson, Yusuke Takinami, Kazuhisa Mizushima, Takao Otsuka, Manabu Omae, Shin Kato. dfn 2018: 1-2 [doi]

2015

Assessment and acceleration of binding energy calculations for protein-ligand complexes by the fragment molecular orbital methodTakao Otsuka, Noriaki Okimoto, Makoto Taiji. jcc, 36(30):2209-2218, 2015. [doi]

2007

Description of core excitations by time-dependent density functional theory with local density approximation, generalized gradient approximation, meta-generalized gradient approximation, and hybrid functionalsYutaka Imamura, Takao Otsuka, Hiromi Nakai. jcc, 28(12):2067-2074, 2007. [doi]

Wavelet transform analysis of ::::ab initio:::: molecular dynamics simulation: Application to core-excitation dynamics of BF::3::Takao Otsuka, Hiromi Nakai. jcc, 28(6):1137-1144, 2007. [doi]

2002

Theoretical auger electron spectra of polymers by density functional theory calculations using model dimersTakao Otsuka, Seiji Koizumi, Kazunaka Endo, Hiroyuki Kawabe, Delano P. Chong. jcc, 23(3):394-401, 2002. [doi]

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