Interaction Analysis on the SARS-CoV‑2 Spike Protein Receptor Binding Domain Using Visualization of the Interfacial Electrostatic Complementarity
Ishikawa, Takeshi, Ozono, Hiroki, Akisawa, Kazuki, Hatada, Ryo, Okuwaki, Koji, Mochizuki, Yuji
Published in The journal of physical chemistry letters (25.11.2021)
Published in The journal of physical chemistry letters (25.11.2021)
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Journal Article
Self‐Degradable Lipid‐Like Materials Based on “Hydrolysis accelerated by the intra‐Particle Enrichment of Reactant (HyPER)” for Messenger RNA Delivery
Tanaka, Hiroki, Takahashi, Tatsunari, Konishi, Manami, Takata, Nae, Gomi, Masaki, Shirane, Daiki, Miyama, Ryo, Hagiwara, Shinya, Yamasaki, Yuki, Sakurai, Yu, Ueda, Keisuke, Higashi, Kenjirou, Moribe, Kunikazu, Shinsho, Eiji, Nishida, Ruka, Fukuzawa, Kaori, Yonemochi, Etsuo, Okuwaki, Koji, Mochizuki, Yuji, Nakai, Yuta, Tange, Kota, Yoshioka, Hiroki, Tamagawa, Shinya, Akita, Hidetaka
Published in Advanced functional materials (01.08.2020)
Published in Advanced functional materials (01.08.2020)
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Journal Article
RI‐MP3 calculations of biomolecules based on the fragment molecular orbital method
Ishikawa, Takeshi, Sakakura, Kota, Mochizuki, Yuji
Published in Journal of computational chemistry (15.09.2018)
Published in Journal of computational chemistry (15.09.2018)
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Journal Article
Fragmentation at sp2 carbon atoms in fragment molecular orbital method
Akinaga, Yoshinobu, Kato, Koichiro, Nakano, Tatsuya, Fukuzawa, Kaori, Mochizuki, Yuji
Published in Journal of computational chemistry (05.06.2020)
Published in Journal of computational chemistry (05.06.2020)
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Journal Article
Machine learning to improve efficiency of non-empirical interaction parameter for dissipative particle dynamics (DPD) simulation
Doi, Hideo, Matsuoka, Sota, Okuwaki, Koji, Hatada, Ryo, Minami, Sojiro, Suhara, Ryosuke, Mochizuki, Yuji
Published in Japanese Journal of Applied Physics (01.07.2023)
Published in Japanese Journal of Applied Physics (01.07.2023)
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Journal Article
Cm3+/Eu3+ induced structural, mechanistic and functional implications for calmodulin
Drobot, Björn, Schmidt, Moritz, Mochizuki, Yuji, Abe, Takaya, Okuwaki, Koji, Brulfert, Florian, Falke, Sven, Samsonov, Sergey A, Komeiji, Yuto, Betzel, Christian, Stumpf, Thorsten, Raff, Johannes, Tsushima, Satoru
Published in Physical chemistry chemical physics : PCCP (01.01.2019)
Published in Physical chemistry chemical physics : PCCP (01.01.2019)
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Journal Article
Interaction between calcite and adsorptive peptide analyzed by fragment molecular orbital method
Kato, Koichiro, Fukuzawa, Kaori, Mochizuki, Yuji
Published in Japanese Journal of Applied Physics (01.12.2019)
Published in Japanese Journal of Applied Physics (01.12.2019)
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Journal Article
Ab Initio Fragment Molecular Orbital-Based Molecular Dynamics (FMO-MD) Simulations of (NH3)32 Cluster: Effects of Electron Correlation
Ninomiya, Moeko, Doi, Hideo, Matsumoto, Yoshiteru, Mochizuki, Yuji, Komeiji, Yuto
Published in Bulletin of the Chemical Society of Japan (2020)
Published in Bulletin of the Chemical Society of Japan (2020)
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Journal Article
Destabilization of DNA through interstrand crosslinking by UO22
Rossberg, André, Abe, Takaya, Okuwaki, Koji, Barkleit, Astrid, Fukuzawa, Kaori, Nakano, Tatsuya, Mochizuki, Yuji, Tsushima, Satoru
Published in Chemical communications (Cambridge, England) (01.01.2019)
Published in Chemical communications (Cambridge, England) (01.01.2019)
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Journal Article
Interaction analyses of SARS-CoV-2 spike protein based on fragment molecular orbital calculations
Akisawa, Kazuki, Hatada, Ryo, Okuwaki, Koji, Mochizuki, Yuji, Fukuzawa, Kaori, Komeiji, Yuto, Tanaka, Shigenori
Published in RSC Advances (14.01.2021)
Published in RSC Advances (14.01.2021)
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Collective residue interactions in trimer complexes of SARS-CoV-2 spike proteins analyzed by fragment molecular orbital method
Okuwaki, Koji, Akisawa, Kazuki, Hatada, Ryo, Mochizuki, Yuji, Fukuzawa, Kaori, Komeiji, Yuto, Tanaka, Shigenori
Published in Applied physics express (01.01.2022)
Published in Applied physics express (01.01.2022)
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Journal Article
Development of an Analysis Toolkit, AnalysisFMO, to Visualize Interaction Energies Generated by Fragment Molecular Orbital Calculations
Tokiwa, Takaki, Nakano, Shogo, Yamamoto, Yuta, Ishikawa, Takeshi, Ito, Sohei, Sladek, Vladimir, Fukuzawa, Kaori, Mochizuki, Yuji, Tokiwa, Hiroaki, Misaizu, Fuminori, Shigeta, Yasuteru
Published in Journal of chemical information and modeling (28.01.2019)
Published in Journal of chemical information and modeling (28.01.2019)
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