首页   按字顺浏览 期刊浏览 卷期浏览 Structural changes of a single polymer chain via multicanonical molecular dynamics simu...
Structural changes of a single polymer chain via multicanonical molecular dynamics simulation

 

作者: Kentaro Uehara,   Hisashi Shimizu,   Yasuaki Hiwatari,  

 

期刊: AIP Conference Proceedings  (AIP Available online 1900)
卷期: Volume 519, issue 1  

页码: 307-313

 

ISSN:0094-243X

 

年代: 1900

 

DOI:10.1063/1.1291572

 

出版商: AIP

 

数据来源: AIP

 

摘要:

Structural changes and folding properties of 2- and 3-dimensional di-block polyampholytes are investigated via multicanonical molecular dynamics simulations. The restricted free energy of the 2-dimensional system clearly shows double well structure at intermediate temperature region, which is indicative of the structural transition between extended and compact structures. In the 3-dimensional system, only single well structure in the restricted free energy is observed. ©2000 American Institute of Physics.

 

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