Research opportunities are available for students with background in physical chemistry and basic statistical mechanics to conduct research in molecular dynamics simulation for biomolecules. Knowledge in concepts of basic statistical mechanics such as canonical ensemble, Hamiltonian, and equilibrium is essential; knowledge in protein conformational changes or molecular dynamics simulation is preferred by not required. There are several projects available aiming to understand how chemical energy of ATP is converted to mechanical movement of DNA by proteins such as DNA helicase. Students will learn the fast molecular dynamics simulation program GROMACS and will learn how to interpret simulation results for protein functions.
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