Hironori Kokubo

Publication Activity (10 Years)

Years Active: 2010-2020
Publications (10 Years): 4

Top Topics

Protein Protein

Molecular Dynamics Simulations

Top Venues

J. Comput. Aided Mol. Des.

J. Comput. Chem.

J. Chem. Inf. Model.

Publications

Kai Liu, Hironori Kokubo
Prediction of ligand binding mode among multiple cross-docking poses by molecular dynamics simulations. J. Comput. Aided Mol. Des. 34 (11) (2020)
Kai Liu, Hironori Kokubo
Uncovering abnormal changes in logP after fluorination using molecular dynamics simulations. J. Comput. Aided Mol. Des. 33 (3) (2019)
Kai Liu, Hironori Kokubo
Exploring the Stability of Ligand Binding Modes to Proteins by Molecular Dynamics Simulations: A Cross-docking Study. J. Chem. Inf. Model. 57 (10) (2017)
Kai Liu, Etsurou Watanabe, Hironori Kokubo
Exploring the stability of ligand binding modes to proteins by molecular dynamics simulations. J. Comput. Aided Mol. Des. 31 (2) (2017)
Hironori Kokubo, Toshimasa Tanaka, Yuko Okamoto
Two-dimensional replica-exchange method for predicting protein-ligand binding structures. J. Comput. Chem. 34 (30) (2013)
Hironori Kokubo, Toshimasa Tanaka, Yuko Okamoto
prediction of protein-ligand binding structures by replica-exchange umbrella sampling simulations. J. Comput. Chem. 32 (13) (2011)
Yuko Okamoto, Toshimasa Tanaka, Hironori Kokubo
Dependency of ligand free energy landscapes on charge parameters and solvent models. J. Comput. Aided Mol. Des. 24 (8) (2010)