Comparing the effects of different force fields on computed structural character of H1 peptide

摘要：

The dynamics character of H1 peptide in aqueous solution has been investigated through temperature replica exchange molecular dynamics simulations with using two different force fields (OPLS-AA and GROMOS). The simulation using OPLS-AA force field produced more sampling in the α region relative to GROMOS 43A1 force field.

关键词： peptide simulation replica ezchange force field

作者: Zanxia Cao Jihua Wang

作者单位: Key Lab of Biophysics in universities of Shandong (Dezhou University) Dezhou 253023,China

会议类型: 国际会议

会议名称: The 3rd International Conference on Bioinformatics and Biomedical Engineering(iCBBE 2009)(第三届生物信息与生物医学工程国际会议)

会议地点: 北京

会议语种:英文

页码: 1-4

在线出版日期: 2009-06-11（万方平台首次上网日期，不代表论文的发表时间）