COM S 428: Intro to Computational BiophysicsCross-Listing: Not cross-listed. Learning the techniques that are used to simulate on the computer the structure, dynamics, and function of biological molecules. Computer models of water/proteins/membranes using mechanical force fields are considered. Optimization methods (conjugate gradient and Newton Raphson minimization) are explained in the context of structure optimization. Stochastic sampling (Metropolis algorithm) is used to estimate entropy and partition functions. Enhanced sampling approaches as multi-tempering to estimate free energies are discussed. Continuum approximation to dielectric and the numerical solution of the Poisson Boltzmann equation are explored. Offered: Fall only Prerequisites: COM S 100, CHEM 211 or equivalent, MATH 293 or 294, Physics 112 or 213, or permission of instructor. BIOBM 330 recommended. Grade options: Letter or S/U Credit hours: 3 Recent offerings:
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