Molecular Dynamics Applied to X-ray Structure Refinement

详细信息    查看全文

• 作者：Axel T. Brunger and Paul D. Adams
• 刊名：Accounts of Chemical Research
• 出版年：2002
• 出版时间：June 2002
• 年：2002
• 卷：35
• 期：6
• 页码：404 - 412
• 全文大小：242K
• 年卷期：v.35,no.6(June 2002)
• ISSN：1520-4898

文摘

Simulated annealing, in the form of temperature-controlled molecular dynamics, has been successfully applied to macromolecularX-ray structure optimization. The theory and practice of the methodare reviewed, and some recent improvements are described.