6.502J Introduction to Molecular Simulations


Class Info

Introduction to the basic concepts underlying dynamical simulations of proteins and nucleic acids. Basic definitions of components that form biological systems used to develop physical models that describe the dynamics of biomolecules. Topics include classical statistical thermodynamics for calculation of macroscopic observables, normal-mode analyses of protein dynamics, and thermodynamic perturbation theory. Emphasizes actual techniques and algorithms used for such calculations. Prior knowledge of biochemistry is not required. Students taking the graduate version complete an additional project.

This class has 18.03, 18.06, 6.041, and 6.042 as prerequisites.

6.502J will be offered this semester (Fall 2017). It is instructed by C. M. Stultz.

This class counts for a total of 12 credits.

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introduction molecular simulations Earwin Carter Billy Goldwyn Hst

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