Reiher M. (Ed.) Atomistic Approaches in Modern Biology: From Quantum Chemistry to Molecular Simulations

Berlin Heidelberg: Springer-Verlag, 2007. — 367 p. — (Topics in Current Chemistry). — ISBN: 3540380825.This volume of Topics in Current Chemistry presents an overview of atomistic theoretical methods applied to molecular biological systems. It thus repesents a bottom-up view of chemistry on biology from a theoretical perspective. The chapters are arranged such that important issues are considered starting from a quantum mechanical perspective and proceeding to a molecular mechanics and molecular dynamics description of the motion of the elementary particles involved (i.e., of electrons and atomic nuclei and then of atoms andmolecules), which are responsible for the properties and function of biomolecules.Quantum Chemical Investigations of Reaction Paths of Metalloenzymes and Biomimetic Models – The Hydrogenase Example
Theoretical Bioinorganic Spectroscopy
First-Principles Approach to Vibrational Spectroscopy of Biomolecules
Car–Parrinello Molecular Dynamics Simulations and Biological Systems
QM/MM Methods for Biological Systems
Transition Path Sampling Simulations of Biological Systems
PcrA Helicase, a Molecular Motor Studied from the Electronic to the Functional Level