Day 1 of CCDS CompBio workshop on Molecular Dynamics (MD). This is the first of the sequence of workshops aimed to provide hands-on training on the tools and databases used for MD simulations.
MD simulations predict how atoms in a protein or other molecular system will move over time, based on a general model of the physics governing interatomic interactions. Students will be using tools such as Charmm, gromacs, and MDtraj to perform the simulations and post-simulation analysis.
Shafayet Islam from Genereveal is the main resource person for the workshop. This workshop is supervised by CCDS supervisor Dr. Sabrina Elias, dept of Life Sciences, IUB, and Prof Amitava Roy, Computational Structural Biologist at NIH and research prof at the University of Montana. Sixteen students from the dept of CSE and Life Sciences IUB participated in the workshop.
