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portada multi-scale quantum models for biocatalysis: modern techniques and applications
Type
Physical Book
Illustrated by
Publisher
Author
Year
2010
Language
English
Pages
420
Format
Paperback
Dimensions
23.4x15.6x2.3 cm
Weight
0.61 kg.
ISBN
9048182271
ISBN13
9789048182275
Categories

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

Darrin M. York (Illustrated by) · Tai-Sung Lee (Illustrated by) · Springer · Paperback

multi-scale quantum models for biocatalysis: modern techniques and applications - York, Darrin M. ; Lee, Tai-Sung

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Synopsis "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 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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