Post-Doctoral University of Utah 2009; Ph.D. The Scripps Research Institute 2005; B.S. University of Miami 1998
Survey of computational methods for the molecular simulation of biopolymers. Introduction to molecular dynamics and monte carlo simulations. Covers concepts such as energy landscapes, force fields, electrostatic interactions, influence of solvents, assessing the convergence of molecular simulations and analysis of simulation data. Applications primarily to proteins, though nucleic acids, sugars and lipids will also be mentioned. Calculations using the CHARMm and/or GROMACS simulation codes.