E-Book, Englisch, Band 7, 420 Seiten
Reihe: Challenges and Advances in Computational Chemistry and Physics
York / Lee Multi-scale Quantum Models for Biocatalysis
1. Auflage 2009
ISBN: 978-1-4020-9956-4
Verlag: Springer Netherlands
Format: PDF
Kopierschutz: 1 - PDF Watermark
Modern Techniques and Applications
E-Book, Englisch, Band 7, 420 Seiten
Reihe: Challenges and Advances in Computational Chemistry and Physics
ISBN: 978-1-4020-9956-4
Verlag: Springer Netherlands
Format: PDF
Kopierschutz: 1 - PDF Watermark
'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.
