Takuya Fujie

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 5

Top Topics

Molecular Dynamics Simulations

Top Venues

Entropy (Basel, Switzerland)

Journal of chemical information and modeling

The Journal of chemical physics

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

Publications

Keisuke Yanagisawa, Takuya Fujie, Kazuki Takabatake, Yutaka Akiyama
QUBO Problem Formulation of Fragment-Based Protein-Ligand Flexible Docking. Entropy (Basel, Switzerland) 26 (5) (2024)
Keisuke Yanagisawa, Takuya Fujie, Kazuki Takabatake, Yutaka Akiyama
QUBO Problem Formulation of Fragment-Based Protein-Ligand Flexible Docking. Entropy (Basel, Switzerland) 26 (5) (2024)
Jianan Li, Keisuke Yanagisawa, Masatake Sugita, Takuya Fujie, Masahito Ohue, Yutaka Akiyama
CycPeptMPDB: A Comprehensive Database of Membrane Permeability of Cyclic Peptides. Journal of chemical information and modeling (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. Journal of chemical information and modeling 62 (18) (2022)
Takuya Fujie, Norio Takenaka, Yuichi Suzuki, Masataka Nagaoka
Red Moon methodology compatible with quantum mechanics/molecular mechanics framework: Application to solid electrolyte interphase film formation in lithium-ion battery system. The Journal of chemical physics 149 (4) (2018)