Covers computational methods for molecular systems at finite temperature, emphasizing stochastic sampling and time evolution simulations.
Explores Monte Carlo moves in simulation, including trial moves and biased moves, comparing Monte Carlo with Molecular Dynamics.
Covers theory and practical applications of protein folding simulations using molecular dynamics, focusing on solvent effects and analysis of folding dynamics.
Explores potential energy surfaces in molecular dynamics simulations and the use of mixed quantum mechanical/molecular mechanical methods.
