Molecular Modeling and Simulation

Surveys three broad topics: (a) biomolecular structure and modeling - current problems and state of computations; (b) molecular mechanics - force field origin, ... » 

Surveys three broad topics: (a) biomolecular structure and modeling - current problems and state of computations; (b) molecular mechanics - force field origin, composition, and evaluation techniques; and (c) simulation techniques - conformational sampling by geometry optimization, Monte Carlo, and molecular dynamics approaches. «