研究キーワード (6件):
Bioinformatics
, Structure-based virtual screening
, MD simulation
, Fragment molecular orbital method
, Molecular modeling
, Cheminformatics
競争的資金等の研究課題 (3件):
2024 - 2028 癌細胞の代謝リプログラミング依存的な糖鎖修飾と癌微小環境応答の解明
2024 - 2027 FMO/ML-Guided Drug Design: Accelerating Novel Inhibitor Development and Drug Discovery
2021 - 2026 Gタンパク質の超硫黄化による新奇シグナル制御とその生理的意義の解明
論文 (57件):
Melvalia Cristin Manik, Nitchakan Darai, Thanyada Rungrotmongkol, Lian Duan, Ryuhei Harada, Yasuteru Shigeta, Kowit Hengphasatporn, Alisa S. Vangnai. Rationally designed antimicrobial peptides with high selectivity and efficiency against phytopathogenic Ralstonia solanecearum. Science of The Total Environment. 2025. 976. 179354-179354
Kamonpan Sanachai, Kowit Hengphasatporn, Supakarn Chamni, Khanit Suwanborirux, Panupong Mahalapbutr, Yasuteru Shigeta, Supaphorn Seetaha, Kiattawee Choowongkomon, Thanyada Rungrotmongkol. Exploring mimosamycin as a Janus kinase 2 inhibitor: A combined computational and experimental investigation. Computational Biology and Chemistry. 2025
Lian Duan, Kowit Hengphasatporn, Ryuhei Harada, Yasuteru Shigeta. Reaction Mechanism Path Sampling Based on Parallel Cascade Selection QM/MM Molecular Dynamics Simulation: PaCS-Q. Journal of Chemical Theory and Computation. 2025
Gissi Novientri, Koji Takeda, Lian Duan, Kowit Hengphasatporn, Yasuteru Shigeta, Cheng Xie, Tsuyoshi Mashima, Shun Hirota. Apoprotein Intermolecular Interactions and Heme Insertion for 3D Domain Swapping in Myoglobin. ACS Omega. 2025
Akiyuki Nishimura, Seiryo Ogata, Xiaokang Tang, Kowit Hengphasatporn, Keitaro Umezawa, Makoto Sanbo, Masumi Hirabayashi, Yuri Kato, Yuko Ibuki, Yoshito Kumagai, et al. Polysulfur-based bulking of dynamin-related protein 1 prevents ischemic sulfide catabolism and heart failure in mice. Nature Communications. 2025