Kasahara Kento

Profile Information

Affiliation: Osaka University

Researcher number: 10824469
ORCID ID: https://orcid.org/0000-0001-7138-250X
J-GLOBAL ID: 202001015283710975
researchmap Member ID: B000382319

Research Interests

Research Areas

Research History

Apr, 2020 - Present

Osaka University
Apr, 2018 - Mar, 2020

Research scientist, Laboratory for Biomolecular Function Simulation, RIKEN Center for Biosystems Dynamics Research
Apr, 2015 - Mar, 2017

Japan Society for the Promotion of Science

Education

Apr, 2018 - Mar, 2020

生命機能科学研究センター研究員, 国立研究開発法人理化学研究所
Apr, 2014 - Mar, 2018

工学研究科分子工学専攻博士課程, 京都大学大学院
Apr, 2012 - Mar, 2014

工学研究科分子工学専攻修士課程, 京都大学大学院

Committee Memberships

Jun, 2021 - Present

編集委員, 溶液化学研究会

Awards

Papers

Crystal Growth of Urea and Its Modulation by Additives as Analyzed by All-Atom MD Simulation and Solution Theory

Senri Tanaka, Naoki Yamamoto, Kento Kasahara, Yoshiki Ishii, Nobuyuki Matubayasi

The Journal of Physical Chemistry B, 2022 Peer-reviewed
Constructing a Memory Kernel of the Returning Probability to Efficiently Describe Molecular Binding Processes

Kento Kasahara, Ren Masayama, Yuya Matsubara, Nobuyuki Matubayasi

Chemistry Letters, 2022 Lead authorCorresponding author
Solvation in nitration of benzene and the valence electronic structure of the Wheland intermediate

Kaho Nakatani, Sho Teshigawara, Yuta Tanahashi, Kento Kasahara, Masahiro Higashi, Hirofumi Sato

Physical Chemistry Chemical Physics, 2022 Peer-reviewed
Atomistic description of molecular binding processes based on returning probability theory

Kento Kasahara, Ren Masayama, Kazuya Okita, Nobuyuki Matubayasi

J. Chem. Phys., 155(20) 204503, 2021 Peer-reviewedLead authorCorresponding author
Optimized Hydrogen Mass Repartitioning Scheme Combined with Accurate Temperature/Pressure Evaluations for Thermodynamic and Kinetic Properties of Biological Systems

Jung, Jaewoon, Kasahara, Kento, Kobayashi, Chigusa, Oshima, Hiraku, Mori, Takaharu, Sugita, Yuji

Journal of Chemical Theory and Computation, 17(9) 5312-5321, 2021 Peer-reviewed
New parallel computing algorithm of molecular dynamics for extremely huge scale biological systems

Jung, Jaewoon, Kobayashi, Chigusa, Kasahara, Kento, Tan, Cheng, Kuroda, Akiyoshi, Minami, Kazuo, Ishiduki, Shigeru, Nishiki, Tatsuo, Inoue, Hikaru, Ishikawa, Yutaka, others

Journal of Computational Chemistry, 42(4) 231-241, 2021 Peer-reviewed
Reduced efficacy of a Src kinase inhibitor in crowded protein solution

Kasahara, Kento, Re, Suyong, Nawrocki, Grzegorz, Oshima, Hiraku, Mishima-Tsumagari, Chiemi, Miyata-Yabuki, Yukako, Kukimoto-Niino, Mutsuko, Yu, Isseki, Shirouzu, Mikako, Feig, Michael, others

Nature Communications, 12(1) 1-8, 2021 Peer-reviewed
Encounter complexes and hidden poses of kinase-inhibitor binding on the free-energy landscape

Re, Suyong, Oshima, Hiraku, Kasahara, Kento, Kamiya, Motoshi, Sugita, Yuji

Proceedings of the National Academy of Sciences, 116(37) 18404-18409, 2019 Peer-reviewed
Time-dependent pair distribution functions based on Smoluchowski equation and application to an electrolyte solution

Kento Kasahara, Hirofumi Sato

Journal of Computational Chemistry, 39(20) 1491-1497, Jul 30, 2018 Peer-reviewedLead authorCorresponding author
Solvation structure of LiClO4/ethylene carbonate solution near a graphite electrode in lithium-ion batteries: 3D-RISM study

Kento Kasahara, Hirofumi Sato

Chemistry Letters, 47(3) 311-314, 2018 Peer-reviewed
Dynamics theory for molecular liquids based on an interaction site model

Kento Kasahara, Hirofumi Sato

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 19(41) 27917-27929, Nov, 2017 Peer-reviewed
Theoretical Study of the Solvation Effect on the Reductive Reaction of Vinylene Carbonate in the Electrolyte Solution of Lithium Ion Batteries

Kento Kasahara, Hiroshi Nakano, Hirofumi Sato

JOURNAL OF PHYSICAL CHEMISTRY B, 121(20) 5293-5299, May, 2017 Peer-reviewed
A theory of diffusion controlled reactions in polyatomic molecule system

Kento Kasahara, Hirofumi Sato

JOURNAL OF CHEMICAL PHYSICS, 145(19) 194502, Nov, 2016 Peer-reviewed
Solvent structure of ionic liquid with carbon dioxide

Kenichi Kikui, Seigo Hayaki, Kentaro Kido, Daisuke Yokogawa, Kento Kasahara, Yoshihiro Matsumura, Hirofumi Sato, Shigeyoshi Sakaki

JOURNAL OF MOLECULAR LIQUIDS, 217 12-16, May, 2016 Peer-reviewed
A molecular level study of selective cation capture by a host-guest mechanism for 25,26,27,28-tetramethoxycalix[4]arene in MClO4 solution (M=Na, K)

Kentaro Kido, Kento Kasahara, Hirofumi Sato, Shigeyoshi Sakaki

MOLECULAR SIMULATION, 41(10-12) 881-891, Aug, 2015 Peer-reviewed
A hybrid framework of first principles molecular orbital calculations and a three-dimensional integral equation theory for molecular liquids: Multi-center molecular Ornstein-Zernike self-consistent field approach

Kentaro Kido, Kento Kasahara, Daisuke Yokogawa, Hirofumi Sato

JOURNAL OF CHEMICAL PHYSICS, 143(1) 014103, Jul, 2015 Peer-reviewed
Development of three-dimensional site-site Smoluchowski-Vlasov equation and application to electrolyte solutions

Kento Kasahara, Hirofumi Sato

JOURNAL OF CHEMICAL PHYSICS, 140(24) 244110, Jun, 2014 Peer-reviewed

Misc.

Simulations of biomolecules in cellular crowded environments

Yuji Sugita, Kento Kasahara, Hiraku Oshima, Isseki Yu, Grzegorz Nawrocki, Suyong Re, Michael Feig

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 37 51-52, May, 2019
Elucidating the crowding effect on protein-ligand binding process

Kento Kasahara, Hiraku Oshima, Grzegorz Nawrocki, Isseki Yu, Suyong Re, Michael Feig, Yuji Sugita

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 257, Mar, 2019

Presentations

分子動力学に基づく分子会合過程の理論的解析

笠原健人

溶液化学研究会第１回溶液化学夏季講演会, Jul 26, 2021 Invited
混雑環境がタンパク質–リガンド結合に及ぼす影響の分子動力学解析

笠原健人

九州大学セミナー, Dec 5, 2019 Invited
拡散律速反応ダイナミクスの分子理論

研究会『化学反応のポテンシャル曲面とダイナミクス』, Apr 9, 2017 Invited
Molecular dynamics analysis of the crowding effects on protein-ligand binding mechanism

Kento Kasahara, Suyong Re, Hiraku Oshima, Nawrocki Grzegorz, Michael Feig, Yuji Sugita

第42回日本分子生物学会年会 Invited

Teaching Experience

Apr, 2021 - Present

化学工学演習I（学部） (大阪大学基礎工学部)
Apr, 2020 - Present

化学工学実験I（学部） (大阪大学基礎工学部)

Professional Memberships

Research Projects

不均一環境下での分子会合過程を解析するための新規理論手法開発

科学研究費助成事業若手研究, 日本学術振興会, Apr, 2021 - Mar, 2023

笠原健人
溶液内における蛍光消光反応ダイナミクスの分子理論

科学研究費助成事業特別研究員奨励費, 日本学術振興会, Apr, 2015 - Mar, 2017

笠原健人

Academic Activities

分子集合系計算科学セミナー

Planning, management, etc.

笠原健人・石井良樹 (https://sites.google.com/view/bunsisyugo/%E9%96%8B%E5%82%AC%E5%B1%A5%E6%AD%B4?authuser=0), Sep 28, 2021 - Present
第2回分子集合系計算科学セミナー

Planning, management, etc., Panel moderator, session chair, etc.

Oct 4, 2021 - Oct 4, 2021
第1回分子集合系計算科学セミナー

Planning, management, etc., Panel moderator, session chair, etc.

笠原健人・石井良樹, Sep 28, 2021 - Sep 28, 2021

Profile Information

Research Interests

Research Areas

Research History

Education

Committee Memberships

Awards

Papers

Misc.

Presentations

Teaching Experience

Professional Memberships

Research Projects

Academic Activities

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