Yuji Mochizuki

17 papers Journal 14Unranked 3
YearRankTypeTitle / Venue / Authors
2025 J jnl
Large-Scale FMO-MP2 Calculations of the Spike Protein Droplet Model.
J. Comput. Chem.
Hideo Doi, Tatsuya Nakano, Kota Sakakura, Kazuki Akisawa, Koji Okuwaki, Yoshinori Hirano, Eiji Yamamoto, Kenji Yasuoka, Satoshi Ohshima, Takahiro Katagiri, Yuji Mochizuki
2025 J jnl
Omics-scale polymer computational database transferable to real-world artificial intelligence applications.
CoRR
Ryo Yoshida, Yoshihiro Hayashi, Hidemine Furuya, Ryohei Hosoya, Kazuyoshi Kaneko, Hiroki Sugisawa, Yu Kaneko, Aiko Takahashi, Yoh Noguchi, Shun Nanjo, Keiko Shinoda, Tomu Hamakawa, Mitsuru Ohno, Takuya Kitamura, Misaki Yonekawa, Stephen Wu, Masato Ohnishi, Chang Liu, Teruki Tsurimoto, Arifin, Araki Wakiuchi, Kohei Noda, Junko Morikawa, Teruaki Hayakawa, Junichiro Shiomi, Masanobu Naito, Kazuya Shiratori, Tomoki Nagai, Norio Tomotsu, Hiroto Inoue, Ryuichi Sakashita, Masashi Ishii, Isao Kuwajima, Kenji Furuichi, Norihiko Hiroi, Yuki Takemoto, Takahiro Ohkuma, Keita Yamamoto, Naoya Kowatari, Masato Suzuki, Naoya Matsumoto, Seiryu Umetani, Hisaki Ikebata, Yasuyuki Shudo, Mayu Nagao, Shinya Kamada, Kazunori Kamio, Taichi Shomura, Kensaku Nakamura, Yudai Iwamizu, Atsutoshi Abe, Koki Yoshitomi, Yuki Horie, Katsuhiko Koike, Koichi Iwakabe, Shinya Gima, Kota Usui, Gikyo Usuki, Takuro Tsutsumi, Keitaro Matsuoka, Kazuki Sada, Masahiro Kitabata, Takuma Kikutsuji, Akitaka Kamauchi, Yusuke Iijima, Tsubasa Suzuki, Takenori Goda, Yuki Takabayashi, Kazuko Imai, Yuji Mochizuki, Hideo Doi, Koji Okuwaki, Hiroya Nitta, Taku Ozawa, Hitoshi Kamijima, Toshiaki Shintani, Takuma Mitamura, Massimiliano Zamengo, Yuitsu Sugami, Seiji Akiyama, Yoshinari Murakami, Atsushi Betto, Naoya Matsuo, Satoru Kagao, Tetsuya Kobayashi, Norie Matsubara, Shosei Kubo, Yuki Ishiyama, Yuri Ichioka, Mamoru Usami, Satoru Yoshizaki, Seigo Mizutani, Yosuke Hanawa, Shogo Kunieda, Mitsuru Yambe, Takeru Nakamura, Hiromori Murashima, Kenji Takahashi, Naoki Wada, Masahiro Kawano
2024 J jnl
Enhancement of energy decomposition analysis in fragment molecular orbital calculations.
J. Comput. Chem.
Sota Matsuoka, Kota Sakakura, Yoshinobu Akinaga, Kazuki Akisawa, Koji Okuwaki, Hideo Doi, Yuji Mochizuki
2024 J jnl
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.
J. Chem. Inf. Model.
Koji Okuwaki, Naoki Watanabe, Koichiro Kato, Chiduru Watanabe, Naofumi Nakayama, Akifumi Kato, Yuji Mochizuki, Tatsuya Nakano, Teruki Honma, Kaori Fukuzawa
2024 J jnl
Size-consistency and orbital-invariance issues revealed by VQE-UCCSD calculations with the FMO scheme.
J. Comput. Chem.
Kenji Sugisaki, Tatsuya Nakano, Yuji Mochizuki
2020 J jnl
Fragment Molecular Orbital Based Interaction Analyses on COVID-19 Main Protease - Inhibitor N3 Complex (PDB ID: 6LU7).
J. Chem. Inf. Model.
Ryo Hatada, Koji Okuwaki, Yuji Mochizuki, Yuma Handa, Kaori Fukuzawa, Yuto Komeiji, Yoshio Okiyama, Shigenori Tanaka
2020 J jnl
Fragmentation at sp2 carbon atoms in fragment molecular orbital method.
J. Comput. Chem.
Yoshinobu Akinaga, Koichiro Kato, Tatsuya Nakano, Kaori Fukuzawa, Yuji Mochizuki
2019 J jnl
Development of an Analysis Toolkit, AnalysisFMO, to Visualize Interaction Energies Generated by Fragment Molecular Orbital Calculations.
J. Chem. Inf. Model.
Takaki Tokiwa, Shogo Nakano, Yuta Yamamoto, Takeshi Ishikawa, Sohei Ito, Vladimír Sládek, Kaori Fukuzawa, Yuji Mochizuki, Hiroaki Tokiwa, Fuminori Misaizu, Yasuteru Shigeta
2018 J jnl
RI-MP3 calculations of biomolecules based on the fragment molecular orbital method.
J. Comput. Chem.
Takeshi Ishikawa, Kota Sakakura, Yuji Mochizuki
2015 — conf
A privacy-preserving collaborative filtering protocol considering updates.
APSITT
Yuji Mochizuki, Yoshifumi Manabe
2011 — conf
Development of QC2AS - A Computer Algebra System for Symbolic Quantum Chemical Computations.
ICCSA Workshops
Takeshi Osoekawa, Yuji Mochizuki, Kazuhiro Yokoyama
2010 — conf
Gröbner Basis Technique for Algebraic Formulas in Electron Correlation Theories.
ICCSA Workshops
Takeshi Osoekawa, Naoyuki Shinohara, Yuji Mochizuki, Kazuhiro Yokoyama
2009 J jnl
Fragment Molecular Orbital method-based Molecular Dynamics (FMO-MD) as a simulator for chemical reactions in explicit solvation.
J. Comput. Chem.
Yuto Komeiji, Takeshi Ishikawa, Yuji Mochizuki, Hiroshi Yamataka, Tatsuya Nakano
2008 J jnl
Theoretical analysis of binding specificity of influenza viral hemagglutinin to avian and human receptors based on the fragment molecular orbital method.
Comput. Biol. Chem.
Tatsunori Iwata, Kaori Fukuzawa, Katsuhisa Nakajima, Sachiko Aida-Hyugaji, Yuji Mochizuki, Hirofumi Watanabe, Shigenori Tanaka
2007 J jnl
Intra- and intermolecular interactions between cyclic-AMP receptor protein and DNA: Ab
J. Comput. Chem.
Kaori Fukuzawa, Yuto Komeiji, Yuji Mochizuki, Akifumi Kato, Tatsuya Nakano, Shigenori Tanaka
2006 J jnl
Intra- and intermolecular interactions between cyclic-AMP receptor protein and DNA: Ab initio fragment molecular orbital study.
J. Comput. Chem.
Kaori Fukuzawa, Yuto Komeiji, Yuji Mochizuki, Akifumi Kato, Tatsuya Nakano, Shigenori Tanaka
2006 J jnl
VISCANA: Visualized Cluster Analysis of Protein-Ligand Interaction Based on the ab Initio Fragment Molecular Orbital Method for Virtual Ligand Screening.
J. Chem. Inf. Model.
Shinji Amari, Masahiro Aizawa, Junwei Zhang, Kaori Fukuzawa, Yuji Mochizuki, Yoshio Iwasawa, Kotoko Nakata, Hiroshi Chuman, Tatsuya Nakano