Atomistic Approaches in Modern Biology: From Quantum Chemistry to Molecular Simulations 〈Vol.268〉

Reiher

Springer（2010/11発売）

• ページ数 361 p.
• 商品コード 9783642072406

Full Description

This series presents critical reviews of the present position and future trends in modern chemical research. It contains short and concise reports on chemistry, each written by the world renowned experts. This series remains valid and useful after 5 or 10 years. More information as well as the electronic version of the whole content available at: springerlink.com.

Contents

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.