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Shunya Nakamura
Shunya Nakamura
Toyohashi University of Technology
Stereochemistry
Fragment molecular orbital
Ab initio
Chemistry
Molecular mechanics
4
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4
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Proposal of novel potent inhibitors against androgen receptor based on ab initio molecular orbital calculations.
2021
Journal of Molecular Graphics & Modelling
Shunya Nakamura
Ryosuke Saito
Shohei Yamamoto
Ittetsu Kobayashi
Ryosuke Takeda
Rie Suzuki
Kentaro Kawai
Midori Takimoto-Kamimura
Noriyuki Kurita
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Proposal of novel inhibitors for vitamin-D receptor: Molecular docking, molecular mechanics and ab initio molecular orbital simulations
2021
Biophysical Chemistry
Shunya Nakamura
Ryosuke Saito
Shohei Yamamoto
Yuta Terauchi
Atsushi Kittaka
Midori Takimoto-Kamimura
Noriyuki Kurita
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Proposal of novel natural inhibitors of severe acute respiratory syndrome coronavirus 2 main protease: Molecular docking and ab initio fragment molecular orbital calculations.
2021
Biophysical Chemistry
Divya Shaji
Shohei Yamamoto
Ryosuke Saito
Ryo Suzuki
Shunya Nakamura
Noriyuki Kurita
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Proposal of Potent Inhibitors for a Bacterial Cell Division Protein FtsZ: Molecular Simulations Based on Molecular Docking and ab Initio Molecular Orbital Calculations.
2020
The Journal of Antibiotics
Shohei Yamamoto
Ryosuke Saito
Shunya Nakamura
Haruki Sogawa
P. A. Karpov
Sergey V. Shulga
Yaroslav B. Blume
Noriyuki Kurita
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