Molecular modeling and simulation

The basic goal of this new text is to introduce students to molecular modeling and simulation and to the wide range of biomolecular problems being attacked by computational techniques. The premise of the author is that the dazzling modeling and simulation software now available often leaves practitioners unaware of the fundamental problems and the complex algorithmic approaches to them that still form the heart of ongoing research. The text provides an overview of biomolecular modeling and structure, molecular mechanics (including functional construction and evaluation techniques), molecular…