Research theme for competitive and other funds (7):
2022 - 2027 クライオ電顕によるDOCKシグナロソームの動的構造の解明
2023 - 2026 分子動力学と分光実験に基づく膜透過現象に対する共溶媒効果の究明
2021 - 2026 Cross-scale data-driven modeling of biomolecular dynamics in the cells
2023 - 2024 Dynamics analysis of cosolvent effects on membrane permeation processes
2022 - 2023 Dynamics analysis of the effects of heterogeneous environments on protein-substrate binding processes
2021 - 2023 Development of a methodology of analyzing molecular association processes in heterogeneous environments
2015 - 2017 溶液内における蛍光消光反応ダイナミクスの分子理論
Show all
Papers (32):
Kazuya Okita, Kento Kasahara, Nobuyuki Matubayasi. Flexible framework of computing binding free energy using the energy representation theory of solution. 2024
Kento Kasahara, Nobuyuki Matubayasi. Molecular theory of membrane permeation phenomena. Journal of the Japan Association of Solution Chemistry. 2024. 6. 21-30
Yuya Matsubara, Ryo Okabe, Ren Masayama, Nozomi Morishita Watanabe, Hiroshi Umakoshi, Kento Kasahara, Nobuyuki Matubayasi. A methodology of quantifying membrane permeability based on returning probability theory and molecular dynamics simulation. The Journal of Chemical Physics. 2024. 161. 2
Kokoro Shikata, Kento Kasahara, Nozomi Morishita Watanabe, Hiroshi Umakoshi, Kang Kim, Nobuyuki Matubayasi. Influence of cholesterol on hydrogen-bond dynamics of water molecules in lipid-bilayer systems at varying temperatures. The Journal of Chemical Physics. 2024. 161. 1
Kazuya Okita, Natsuumi Ito, Nozomi Morishita-Watanabe, Hiroshi Umakoshi, Kento Kasahara, Nobuyuki Matubayasi. Solvation dynamics on the diffusion timescale elucidated using energy-represented dynamics theory. Physical Chemistry Chemical Physics. 2024. 26. 12852-12861
Yuji Sugita, Kento Kasahara, Hiraku Oshima, Isseki Yu, Grzegorz Nawrocki, Suyong Re, Michael Feig. Simulations of biomolecules in cellular crowded environments. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS. 2019. 37. 51-52
Protein-ligand binding kinetics based on diffusion-influenced reaction theory and molecular dynamics
(Telluride Workshop 2024)
Atomistic description of molecular binding kinetics based on returning probability theory and molecular dynamics
(UCR (University of California, Riverside) Chemistry Department Seminar 2023)
Elucidating Protein-Ligand Binding Kinetics Based on Bimolecular Reaction Theory
(The 6th International Conference on Molecular Simulation (ICMS) 2023)