Details of the available projects

Theoretical/Computational Molecular Science

Project Title: 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 molecular dynamics simulation technique to a protein that is related to a disease.

References:

M. Otawa, S. G. Itoh, and H. Okumura, J. Chem. Theory Comput. 20 (2024) 10199. 
S. Tanimoto and H. Okumura, ACS Chem. Neurosci. 15 (2024) 2925.
S. G. Itoh, M. Yagi-Utsumi, K. Kato, and H. Okumura, ACS Chem. Neurosci. 13 (2022) 3139.

Required skills:

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