Research field (4):
Pharmaceuticals - chemistry and drug development
, Bio-, chemical, and soft-matter physics
, Basic physical chemistry
, Computational science
Research theme for competitive and other funds (3):
2023 - 2026 Construction of a predictive model for antigen-antibody interaction energies using the FMO database
2018 - 2022 Proton in Quantum Structural Biology: Synergistic Effect and Structure
2018 - 2021 Collection of inter- and intramolecular interactions data and applications of database to drug discovery based on fragment molecular orbital method
Papers (56):
Yuya Seki, Chiduru Watanabe, Norihiko Tani, Kikuko Kamisaka, Tatsuya Ohyama, Daisuke Takaya, Teruki Honma. Structural Stability and Binding Ability of SARS-CoV-2 Main Protease with GC376: A Stereoisomeric Covalent Ligand Analysis by FMO calculation. Chem-Bio Informatics Journal. 2024. 24. 13-24
Hirotomo Moriwaki, Yusuke Kawashima, Chiduru Watanabe, Kikuko Kamisaka, Yoshio Okiyama, Kaori Fukuzawa, Teruki Honma. FMOe: Preprocessing and visualizing package of the fragment molecular orbital method for Molecular Operating Environment and its applications in covalent ligand and metalloprotein analyses. 2024
Koichiro Kato*, Ami Yamamoto, Chiduru Watanabe, Kaori Fukuzawa. Application of Model Core Potentials to Zn- and Mg-containing Metalloproteins in the Fragment Molecular Orbital Method. Chem-Bio Informatics Journal. 2023. 23. 14-25
Chiduru Watanabe, Shigenori Tanaka, Yoshio Okiyama, Hitomi Yuki, Tatsuya Ohyama, Kikuko Kamisaka, Daisuke Takaya, Kaori Fukuzawa, Teruki Honma. Quantum Chemical Interaction Analysis between SARS-CoV-2 Main Protease and Ensitrelvir Compared with Its Initial Screening Hit. The Journal of Physical Chemistry Letters. 2023. 3609-3620
Kaori FUKUZAWA, Chiduru WATANABE, Koichiro KATO. Structure and Mechanism Analysis of Proteins by Fragment Molecular Orbital Calculations. Nihon Kessho Gakkaishi. 2023. 65. 1. 17-25
2022/10 - 中性子科学会 波紋 President Choice (論文賞) タンパク質-リガンド間相互作用解析における水素原子構造の重要性~量子化学計算データに基づく精緻な論理創薬へ向けた取り組み~
2021/03 - 理化学研究所 桜舞賞(研究奨励賞)
2011/11 - Chem-bio informatics society CBI2011 Poster Award the Best Poster New fragmentation of Fragment Molecular Orbital Method applicable to Fragment Based Drug Design