Home » Multi-Scale Quantum Models for Biocatalysis: Modern Techniques and Applications by Darrin M. York
Multi-Scale Quantum Models for Biocatalysis: Modern Techniques and Applications Darrin M. York

Multi-Scale Quantum Models for Biocatalysis: Modern Techniques and Applications

Darrin M. York

Published May 27th 2009
ISBN : 9781402099557
Hardcover
420 pages
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 About the Book 

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 areMoreMulti-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.