Replica exchange molecular dynamics simulation of structure variation from α/4β-fold to 3α-fold protein

Replica exchange molecular dynamics (REMD) simulation provides an efficient conformational sampling tool for the study of protein folding. In this study, we explore the mechanism directing the structure variation from α/4β-fold protein to 3α-fold protein after mutation by conducting REMD simulation...

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Bibliographic Details
Main Authors: Lazim, Raudah, Mei, Ye, Zhang, Dawei
Other Authors: School of Physical and Mathematical Sciences
Format: Article
Language:English
Published: 2013
Subjects:
Online Access:https://hdl.handle.net/10356/98098
http://hdl.handle.net/10220/17485
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Institution: Nanyang Technological University
Language: English

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