Multi-scale Quantum Models for Biocatalysis
Modern Techniques and Applications
Challenges and Advances in Computational Chemistry and Physics
York, D. M. (EDT)
Lee, T. (EDT)
- 出版社：Springer
- 出版年月：2009年 04月
- ISBN：9781402099557
- 装丁：HRD
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装丁について
- 言語：ENG
- 巻数・ページ数：600 p.
- 分類： 計算化学
- DDC分類：540
- 内容紹介：
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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.