| 書目名稱 | Free Energy Calculations |
| 副標題 | Theory and Applicati |
| 編輯 | Christophe Chipot,Andrew Pohorille |
| 視頻video | http://file.papertrans.cn/348/347944/347944.mp4 |
| 概述 | Includes supplementary material: |
| 叢書名稱 | Springer Series in Chemical Physics |
| 圖書封面 |  |
| 描述 | .Free energy constitutes the most important thermodynamic quantity to understand how chemical species recognize each other, associate or react. Examples of problems in which knowledge of the underlying free energy behaviour is required, include conformational equilibria and molecular association, partitioning between immiscible liquids, receptor-drug interaction, protein-protein and protein-DNA association, and protein stability. ..This volume sets out to present a coherent and comprehensive account of the concepts that underlie different approaches devised for the determination of free energies. The reader will gain the necessary insight into the theoretical and computational foundations of the subject and will be presented with relevant applications from molecular-level modelling and simulations of chemical and biological systems. Both formally accurate and approximate methods are covered using both classical and quantum mechanical descriptions. A central theme of the book is that the wide variety of free energy calculation techniques available today can be understood as different implementations of a few basic principles. ..The book is aimed at a broad readership of graduate stu |
| 出版日期 | Book 2007 |
| 關鍵詞 | Potential; computational biochemistry; free energy; molecular dynamics; molecule |
| 版次 | 1 |
| doi | https://doi.org/10.1007/978-3-540-38448-9 |
| isbn_softcover | 978-3-540-73617-2 |
| isbn_ebook | 978-3-540-38448-9Series ISSN 0172-6218 Series E-ISSN 2364-9003 |
| issn_series | 0172-6218 |
| copyright | Springer-Verlag Berlin Heidelberg 2007 |
|Archiver|手機版|小黑屋|
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