Chiduru Watanabe

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 14

Top Topics

Molecular Dynamics Simulations

Structural Basis

Respiratory Syndrome Coronavirus

Top Venues

Journal of chemical information and modeling

The journal of physical chemistry letters

The journal of physical chemistry. B

ACS medicinal chemistry letters

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

Publications

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. Journal of chemical information and modeling (2024)
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)
Kenichiro Takaba, Chiduru Watanabe, Atsushi Tokuhisa, Yoshinobu Akinaga, Biao Ma, Ryo Kanada, Mitsugu Araki, Yasushi Okuno, Yusuke Kawashima, Hirotomo Moriwaki, Norihito Kawashita, Teruki Honma, Kaori Fukuzawa, Shigenori Tanaka
Protein-ligand binding affinity prediction of cyclin-dependent kinase-2 inhibitors by dynamically averaged fragment molecular orbital-based interaction energy. Journal of computational chemistry 43 (20) (2022)
Yasuko Koda, Shin Sato, Hirofumi Yamamoto, Hideaki Niwa, Hisami Watanabe, Chiduru Watanabe, Tomohiro Sato, Kana Nakamura, Akiko Tanaka, Mikako Shirouzu, Teruki Honma, Takehiro Fukami, Hiroo Koyama, Takashi Umehara
Design and Synthesis of Tranylcypromine-Derived LSD1 Inhibitors with Improved hERG and Microsomal Stability Profiles. ACS medicinal chemistry letters 13 (5) (2022)
Hideaki Niwa, Chiduru Watanabe, Shin Sato, Toshiyuki Harada, Hisami Watanabe, Ryo Tabusa, Shunsuke Fukasawa, Ayane Shiobara, Tomoko Hashimoto, Osamu Ohno, Kana Nakamura, Keiko Tsuganezawa, Akiko Tanaka, Mikako Shirouzu, Teruki Honma, Kenji Matsuno, Takashi Umehara
Structure-Activity Relationship and In Silico Evaluation of cis - and trans -PCPA-Derived Inhibitors of LSD1 and LSD2. ACS medicinal chemistry letters 13 (9) (2022)
Kazuki Watanabe, Chiduru Watanabe, Teruki Honma, Yu-Shi Tian, Yusuke Kawashima, Norihito Kawashita, Tatsuya Takagi, Kaori Fukuzawa
Intermolecular Interaction Analyses on SARS-CoV-2 Spike Protein Receptor Binding Domain and Human Angiotensin-Converting Enzyme 2 Receptor-Blocking Antibody/Peptide Using Fragment Molecular Orbital Calculation. The journal of physical chemistry letters 12 (16) (2021)
Kaori Fukuzawa, Koichiro Kato, Chiduru Watanabe, Yusuke Kawashima, Yuma Handa, Ami Yamamoto, Kazuki Watanabe, Tatsuya Ohyama, Kikuko Kamisaka, Daisuke Takaya, Teruki Honma
Special Features of COVID-19 in the FMODB: Fragment Molecular Orbital Calculations and Interaction Energy Analysis of SARS-CoV-2-Related Proteins. Journal of chemical information and modeling 61 (9) (2021)
Chiduru Watanabe, Yoshio Okiyama, Shigenori Tanaka, Kaori Fukuzawa, Teruki Honma
Molecular recognition of SARS-CoV-2 spike glycoprotein: quantum chemical hot spot and epitope analyses. Chemical science 12 (13) (2021)
Daisuke Takaya, Chiduru Watanabe, Shunpei Nagase, Kikuko Kamisaka, Yoshio Okiyama, Hirotomo Moriwaki, Hitomi Yuki, Tomohiro Sato, Noriyuki Kurita, Yoichiro Yagi, Tatsuya Takagi, Norihito Kawashita, Kenichiro Takaba, Tomonaga Ozawa, Midori Takimoto-Kamimura, Shigenori Tanaka, Kaori Fukuzawa, Teruki Honma
FMODB: The World's First Database of Quantum Mechanical Calculations for Biomacromolecules Based on the Fragment Molecular Orbital Method. Journal of chemical information and modeling 61 (2) (2021)
Koichiro Kato, Tomohide Masuda, Chiduru Watanabe, Naoki Miyagawa, Hideo Mizouchi, Shumpei Nagase, Kikuko Kamisaka, Kanji Oshima, Satoshi Ono, Hiroshi Ueda, Atsushi Tokuhisa, Ryo Kanada, Masateru Ohta, Mitsunori Ikeguchi, Yasushi Okuno, Kaori Fukuzawa, Teruki Honma
High-Precision Atomic Charge Prediction for Protein Systems Using Fragment Molecular Orbital Calculation and Machine Learning. Journal of chemical information and modeling 60 (7) (2020)
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)
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)
Toru Sengoku, Takehiro Suzuki, Naoshi Dohmae, Chiduru Watanabe, Teruki Honma, Yasushi Hikida, Yoshiki Yamaguchi, Hideyuki Takahashi, Shigeyuki Yokoyama, Tatsuo Yanagisawa
Structural basis of protein arginine rhamnosylation by glycosyltransferase EarP. Nature chemical biology 14 (4) (2018)
Chiduru Watanabe, Hirofumi Watanabe, Kaori Fukuzawa, Lorien J Parker, Yoshio Okiyama, Hitomi Yuki, Shigeyuki Yokoyama, Hirofumi Nakano, Shigenori Tanaka, Teruki Honma
Theoretical Analysis of Activity Cliffs among Benzofuranone-Class Pim1 Inhibitors Using the Fragment Molecular Orbital Method with Molecular Mechanics Poisson-Boltzmann Surface Area (FMO+MM-PBSA) Approach. Journal of chemical information and modeling 57 (12) (2017)