Multi-scale Quantum Models for Biocatalysis

Released on by Darrin M. York
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  • Multi-scale Quantum Models for Biocatalysis Book Detail

  • Author : Darrin M. York
  • Release Date : 2009-05-30
  • Publisher : Springer Science & Business Media
  • Genre : Science
  • Pages : 426
  • ISBN 13 : 1402099568
  • File Size : 9,9 MB
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Multi-scale Quantum Models for Biocatalysis by Darrin M. York PDF Summary

Book 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.

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