Yuji Mochizuki

Researcher Name Resolver ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 27

Top Venues

The journal of physical chemistry. B

Journal of computational chemistry

Chemical communications (Cambridge, England)

Physical chemistry chemical physics : PCCP

Rikkyo University

Hokkaido University (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Rikkyo University

Japan

Professor :: Chemistry, Faculty of Science

Institute of Industrial Science, the University of Tokyo

Japan

Part-time Research Fellow

Rikkyo University

Japan

Associate Professor :: Chemistry, Faculty of Science

Institute of Industrial Science, the University of Tokyo

Japan

Research Fellow (Advancesoft Corporation)

Japan Atomic Energy Research Institute

Japan

Research Fellow (Research Organization for Information Science and Technology)

Japan Atomic Energy Research Institute

Japan

Research Fellow (Japan Science and Technology Agency)

NEC Corporation

Japan

Researcher

Education History

Hokkaido University

Japan

PHD :: Chemistry, Faculty of Science

Hokkaido University

Japan

MSC :: Chemistry, Faculty of Science

Hokkaido University

Japan

BSC :: Chemistry, Faculty of Science

Publications

Yuma Handa, Koji Okuwaki, Yusuke Kawashima, Ryo Hatada, Yuji Mochizuki, Yuto Komeiji, Shigenori Tanaka, Takayuki Furuishi, Etsuo Yonemochi, Teruki Honma, Kaori Fukuzawa
Prediction of Binding Pose and Affinity of Nelfinavir, a SARS-CoV-2 Main Protease Repositioned Drug, by Combining Docking, Molecular Dynamics, and Fragment Molecular Orbital Calculations. The journal of physical chemistry. B 128 (10) (2024)
Kenji Sugisaki, Tatsuya Nakano, Yuji Mochizuki
Size-consistency and orbital-invariance issues revealed by VQE-UCCSD calculations with the FMO scheme. Journal of computational chemistry 45 (26) (2024)
Kenji Sugisaki, Tatsuya Nakano, Yuji Mochizuki
Size-consistency and orbital-invariance issues revealed by VQE-UCCSD calculations with the FMO scheme. Journal of computational chemistry (2024)
Yuma Handa, Koji Okuwaki, Yusuke Kawashima, Ryo Hatada, Yuji Mochizuki, Yuto Komeiji, Shigenori Tanaka, Takayuki Furuishi, Etsuo Yonemochi, Teruki Honma, Kaori Fukuzawa
Prediction of Binding Pose and Affinity of Nelfinavir, a SARS-CoV-2 Main Protease Repositioned Drug, by Combining Docking, Molecular Dynamics, and Fragment Molecular Orbital Calculations. The journal of physical chemistry. B 128 (10) (2024)
Satoru Tsushima, Jérôme Kretzschmar, Hideo Doi, Koji Okuwaki, Masashi Kaneko, Yuji Mochizuki, Koichiro Takao
Towards tailoring hydrophobic interaction with uranyl(VI) oxygen for C-H activation. Chemical communications (Cambridge, England) (2024)
Yuma Handa, Koji Okuwaki, Yusuke Kawashima, Ryo Hatada, Yuji Mochizuki, Yuto Komeiji, Shigenori Tanaka, Takayuki Furuishi, Etsuo Yonemochi, Teruki Honma, Kaori Fukuzawa
Prediction of Binding Pose and Affinity of Nelfinavir, a SARS-CoV-2 Main Protease Repositioned Drug, by Combining Docking, Molecular Dynamics, and Fragment Molecular Orbital Calculations. The journal of physical chemistry. B 128 (10) (2024)
Satoru Tsushima, Jérôme Kretzschmar, Hideo Doi, Koji Okuwaki, Masashi Kaneko, Yuji Mochizuki, Koichiro Takao
Towards tailoring hydrophobic interaction with uranyl(VI) oxygen for C-H activation. Chemical communications (Cambridge, England) 60 (36) (2024)
Yuma Handa, Koji Okuwaki, Yusuke Kawashima, Ryo Hatada, Yuji Mochizuki, Yuto Komeiji, Shigenori Tanaka, Takayuki Furuishi, Etsuo Yonemochi, Teruki Honma, Kaori Fukuzawa
Prediction of Binding Pose and Affinity of Nelfinavir, a SARS-CoV-2 Main Protease Repositioned Drug, by Combining Docking, Molecular Dynamics, and Fragment Molecular Orbital Calculations. The journal of physical chemistry. B (2024)
Yuma Handa, Koji Okuwaki, Yusuke Kawashima, Ryo Hatada, Yuji Mochizuki, Yuto Komeiji, Shigenori Tanaka, Takayuki Furuishi, Etsuo Yonemochi, Teruki Honma, Kaori Fukuzawa
Prediction of Binding Pose and Affinity of Nelfinavir, a SARS-CoV-2 Main Protease Repositioned Drug, by Combining Docking, Molecular Dynamics, and Fragment Molecular Orbital Calculations. The journal of physical chemistry. B 128 (10) (2024)
Satoru Tsushima, Jérôme Kretzschmar, Hideo Doi, Koji Okuwaki, Masashi Kaneko, Yuji Mochizuki, Koichiro Takao
Towards tailoring hydrophobic interaction with uranyl(VI) oxygen for C-H activation. Chemical communications (Cambridge, England) 60 (36) (2024)
Sota Matsuoka, Kota Sakakura, Yoshinobu Akinaga, Kazuki Akisawa, Koji Okuwaki, Hideo Doi, Yuji Mochizuki
Enhancement of energy decomposition analysis in fragment molecular orbital calculations. Journal of computational chemistry 45 (12) (2023)
Kazunori Motai, Nao Koishihara, Takuma Narimatsu, Hiroyoshi Ohtsu, Masaki Kawano, Yuki Wada, Kazuki Akisawa, Koji Okuwaki, Takehiko Mori, Ji-Seon Kim, Yuji Mochizuki, Yuhei Hayamizu
Correction to "Bifurcated Hydrogen Bonds in a Peptide Crystal Unveiled by X-ray Diffraction and Polarized Raman Spectroscopy". Crystal growth & design 23 (9) (2023)
Sota Matsuoka, Kota Sakakura, Yoshinobu Akinaga, Kazuki Akisawa, Koji Okuwaki, Hideo Doi, Yuji Mochizuki
Enhancement of energy decomposition analysis in fragment molecular orbital calculations. Journal of computational chemistry (2023)
Kenji Sugisaki, Takumi Kato, Yuichiro Minato, Koji Okuwaki, Yuji Mochizuki
Variational quantum eigensolver simulations with the multireference unitary coupled cluster ansatz: a case study of the C 2 v quasi-reaction pathway of beryllium insertion into a H 2 molecule. Physical chemistry chemical physics : PCCP 24 (14) (2022)
Takeshi Ishikawa, Hiroki Ozono, Kazuki Akisawa, Ryo Hatada, Koji Okuwaki, Yuji Mochizuki
Interaction Analysis on the SARS-CoV-2 Spike Protein Receptor Binding Domain Using Visualization of the Interfacial Electrostatic Complementarity. The journal of physical chemistry letters 12 (46) (2021)
Shigenori Tanaka, Shusuke Tokutomi, Ryo Hatada, Koji Okuwaki, Kazuki Akisawa, Kaori Fukuzawa, Yuto Komeiji, Yoshio Okiyama, Yuji Mochizuki
Dynamic Cooperativity of Ligand-Residue Interactions Evaluated with the Fragment Molecular Orbital Method. The journal of physical chemistry. B 125 (24) (2021)
Kazuki Akisawa, Ryo Hatada, Koji Okuwaki, Yuji Mochizuki, Kaori Fukuzawa, Yuto Komeiji, Shigenori Tanaka
Interaction analyses of SARS-CoV-2 spike protein based on fragment molecular orbital calculations. RSC advances 11 (6) (2021)
Ryo Hatada, Koji Okuwaki, Yuji Mochizuki, Yuma Handa, Kaori Fukuzawa, Yuto Komeiji, Yoshio Okiyama, Shigenori Tanaka
Fragment Molecular Orbital Based Interaction Analyses on COVID-19 Main Protease - Inhibitor N3 Complex (PDB ID: 6LU7). Journal of chemical information and modeling 60 (7) (2020)
Ryoko Kawai, Shuntaro Chiba, Koji Okuwaki, Ryo Kanada, Hideo Doi, Masahiro Ono, Yuji Mochizuki, Yasushi Okuno
Stabilization Mechanism for a Nonfibrillar Amyloid β Oligomer Based on Formation of a Hydrophobic Core Determined by Dissipative Particle Dynamics. ACS chemical neuroscience 11 (3) (2020)
Yoshinobu Akinaga, Koichiro Kato, Tatsuya Nakano, Kaori Fukuzawa, Yuji Mochizuki
Fragmentation at sp2 carbon atoms in fragment molecular orbital method. Journal of computational chemistry 41 (15) (2020)
Björn Drobot, Moritz Schmidt, Yuji Mochizuki, Takaya Abe, Koji Okuwaki, Florian Brulfert, Sven Falke, Sergey A Samsonov, Yuto Komeiji, Christian Betzel, Thorsten Stumpf, Johannes Raff, Satoru Tsushima
Cm3+/Eu3+ induced structural, mechanistic and functional implications for calmodulin. Physical chemistry chemical physics : PCCP 21 (38) (2019)
Yoshio Okiyama, Tatsuya Nakano, Chiduru Watanabe, Kaori Fukuzawa, Yuji Mochizuki, Shigenori Tanaka
Fragment Molecular Orbital Calculations with Implicit Solvent Based on the Poisson-Boltzmann Equation: Implementation and DNA Study. The journal of physical chemistry. B 122 (16) (2018)
Koji Okuwaki, Yuji Mochizuki, Hideo Doi, Shutaro Kawada, Taku Ozawa, Kenji Yasuoka
Theoretical analyses on water cluster structures in polymer electrolyte membrane by using dissipative particle dynamics simulations with fragment molecular orbital based effective parameters. RSC advances 8 (60) (2018)
Takatoshi Fujita, Yuji Mochizuki
Development of the Fragment Molecular Orbital Method for Calculating Nonlocal Excitations in Large Molecular Systems. The journal of physical chemistry. A 122 (15) (2018)
Yoshio Okiyama, Chiduru Watanabe, Kaori Fukuzawa, Yuji Mochizuki, Tatsuya Nakano, Shigenori Tanaka
Fragment Molecular Orbital Calculations with Implicit Solvent Based on the Poisson-Boltzmann Equation: II. Protein and Its Ligand-Binding System Studies. The journal of physical chemistry. B 123 (5) (2018)
Takaki Tokiwa, Shogo Nakano, Yuta Yamamoto, Takeshi Ishikawa, Sohei Ito, Vladimir Sladek, Kaori Fukuzawa, Yuji Mochizuki, Hiroaki Tokiwa, Fuminori Misaizu, Yasuteru Shigeta
Development of an Analysis Toolkit, AnalysisFMO, to Visualize Interaction Energies Generated by Fragment Molecular Orbital Calculations. Journal of chemical information and modeling 59 (1) (2018)
Koji Okuwaki, Yuji Mochizuki, Hideo Doi, Taku Ozawa
Fragment Molecular Orbital Based Parametrization Procedure for Mesoscopic Structure Prediction of Polymeric Materials. The journal of physical chemistry. B 122 (1) (2017)

Yuji Mochizuki.css-eqlu8i{font-size:small;padding-left:4px;}

Publication Activity (10 Years)

Top Topics

Top Venues

Yuji Mochizuki