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Multi-scale Quantum Models for Biocatalysis

Modern Techniques and Applications
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Description

“Multi-scale Quantum Models for Biocatalysis” explores various molecular modelling techniques and their applications in providing an understanding of the detailed mechanisms at play during biocatalysis in enzyme and ribozyme systems. These areas are reviewed by an international team of experts in theoretical, computational chemistry, and biophysics. This book presents detailed reviews concerning the development of various techniques, including ab initio molecular dynamics, density functional theory, combined QM/MM methods, solvation models, force field methods, and free-energy estimation techniques, as well as successful applications of multi-scale methods in the biocatalysis systems including several protein enzymes and ribozymes. This book is an excellent source of information for research professionals involved in computational chemistry and physics, material science, nanotechnology, rational drug design and molecular biology and for students exposed to these research areas.
Release date NZ
October 28th, 2010
Audience
  • Professional & Vocational
Contributors
  • Edited by Darrin M York
  • Edited by Tai-Sung Lee
Edition
Softcover reprint of hardcover 1st ed. 2009
Illustrations
XIV, 420 p.
Pages
420
Dimensions
156x234x22
ISBN-13
9789048182275
Product ID
9978306

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