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A configurational bias Monte Carlo method for linear and cyclic peptides

 

作者: MichaelW. Deem,   JoelS. Bader,  

 

期刊: Molecular Physics  （Taylor Available online 1996）
卷期: Volume 87, issue 6  

页码: 1245-1260

 

ISSN:0026-8976

 

年代: 1996

 

DOI:10.1080/00268979600100841

 

出版商: Taylor & Francis Group

 

数据来源: Taylor

 

摘要:

A new configurational bias Monte Carlo technique is described for the simulation of peptides, focusing on the biologically relevant cases of linear and cyclic peptides. The approach leads to efficient, Boltzmann-weighted sampling of the torsional degrees of freedom in these biological molecules, a feat not possible with previous Monte Carlo and molecular dynamics methods.

 

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