Details of the available projects

Theoretical/Computational Molecular Science

Project Title: Generalized-Ensemble Molecular Dynamics Study for Medically Important Biomolecules
Associate Professor: Hisashi OKUMURA
https://www.ims.ac.jp/en/research/group/okumura/

Details of the project:

1) Training of molecular dynamics simulation
2) Application of generalized-ensemble molecular dynamics simulation technique to a protein that is related to a disease.

References:

ACS Chem. Neurosci. 13 (2022) 3139
J. Phys. Chem. B 125 (2021) 4964
Chem. Phys. Lett. 758 (2020) 137913.
J. Phys. Chem. B 123 (2019) 160.

Required skills:

Experience of theoretical works on UNIX (or Linux) platform with FORTRAN programming and basic knowledge of analytical mechanics and statistical mechanics are requested.