Multi-scale quantum models for biocatalysis: modern techniques and applications

“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 moleculardynamics, 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. Furnishes an understanding of how catalysis is achieved by biological macromolecules Written for those engaged in biotechnology and biomedical research A single-source guide tothe most promising computational methods used to study biocatalysis Provides an invaluable resource to researchers interested in the further development ofthese theoretical methods INDICE: From the contents Overview of methodologies.- Fast quantum models with empirical treatments.- Biocatalysis applications.

• ISBN: 978-1-4020-9955-7
• Editorial: Springer
• Encuadernacion: Cartoné
• Páginas: 600
• Fecha Publicación: 01/05/2009
• Nº Volúmenes: 1
• Idioma: Inglés