Masatake Sugita

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 6

Top Topics

Molecular Dynamics Simulations

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

Publications

Taisuke Boku, Masatake Sugita, Ryohei Kobayashi, Shinnosuke Furuya, Takuya Fujie, Masahito Ohue, Yutaka Akiyama
Improving Performance on Replica-Exchange Molecular Dynamics Simulations by Optimizing GPU Core Utilization. ICPP (2024)
Jianan Li, Keisuke Yanagisawa, Masatake Sugita, Takuya Fujie, Masahito Ohue, Yutaka Akiyama
CycPeptMPDB: A Comprehensive Database of Membrane Permeability of Cyclic Peptides. J. Chem. Inf. Model. 63 (7) (2023)
Masatake Sugita, Fumio Hirata
Realization of the structural fluctuation of biomolecules in solution: Generalized Langevin mode analysis. J. Comput. Chem. 44 (10) (2023)
Masatake Sugita, Takuya Fujie, Keisuke Yanagisawa, Masahito Ohue, Yutaka Akiyama
Lipid Composition Is Critical for Accurate Membrane Permeability Prediction of Cyclic Peptides by Molecular Dynamics Simulations. J. Chem. Inf. Model. 62 (18) (2022)
Masatake Sugita, Satoshi Sugiyama, Takuya Fujie, Yasushi Yoshikawa, Keisuke Yanagisawa, Masahito Ohue, Yutaka Akiyama
Large-Scale Membrane Permeability Prediction of Cyclic Peptides Crossing a Lipid Bilayer Based on Enhanced Sampling Molecular Dynamics Simulations. J. Chem. Inf. Model. 61 (7) (2021)
Takeshi Hasegawa, Masatake Sugita, Takeshi Kikuchi, Fumio Hirata
A Systematic Analysis of the Binding Affinity between the Pim-1 Kinase and Its Inhibitors Based on the MM/3D-RISM/KH Method. J. Chem. Inf. Model. 57 (11) (2017)