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Takuya Ezawa
Takuya Ezawa
Toyohashi University of Technology
Chemistry
Fragment molecular orbital
Stereochemistry
Ab initio
Biochemistry
5
Papers
2
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0
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2024
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Proposal of selective inhibitor for bacterial zinc metalloprotease: Molecular mechanics and ab initio molecular orbital calculations
2022
Journal of Molecular Graphics & Modelling
Kyohei Imai
Ryosuke Saito
Takuya Ezawa
Satoshi Sugiyama
Ingebrigt Sylte
Noriyuki Kurita
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Specific Interactions Between The Alkaline Protease of P. Aeruginosa And Its Natural Peptide Inhibitor: Ab Initio Molecular Simulations
2021
Ryosuke Saito
Kyohei Imai
Shohei Yamamoto
Takuya Ezawa
Satoshi Sugiyama
Linn Samira Mari Evenseth
Ingebrigt Sylte
Noriyuki Kurita
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Protonation states of central amino acids in a zinc metalloprotease complexed with inhibitor: Molecular mechanics optimizations and ab initio molecular orbital calculations
2020
Biophysical Chemistry
Takuya Ezawa
Ryosuke Saito
Shusuke Suzuki
Satoshi Sugiyama
Ingebrigt Sylte
Noriyuki Kurita
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Design of galardine analogs as putative psudolysin inhibitors based on ab initio fragment molecular orbital calculations
2019
Journal of Biomolecular Structure & Dynamics
Takuya Ezawa
Satoshi Sugiyama
Ayami Ara
Ingebrigt Sylte
Noriyuki Kurita
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Specific interactions between 2-trans enoyl-acyl carrier protein reductase and its ligand: Protein-ligand docking and ab initio fragment molecular orbital calculations
2019
Journal of Molecular Graphics & Modelling
Naruedon Phusi
Riku Sato
Takuya Ezawa
Shogo Tomioka
Chayanin Hanwarinroj
Bandit Khamsri
Pharit Kamsri
Auradee Punkvang
Pornpan Pungpo
Noriyuki Kurita
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