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.
点击下载:
PDF
(361KB)
返 回