REPLICA-EXCHANGE

作品数：2被引量：3H指数：1
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相关领域：生物学更多>>
相关作者：刘磊曹赞霞更多>>
相关机构：德州学院更多>>
相关期刊：《Acta Biochimica et Biophysica Sinica》《Science China Chemistry》更多>>
相关基金：国家自然科学基金国家重点基础研究发展计划山东省自然科学基金更多>>
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Structural and thermodynamics characters of isolated α-syn12 peptide： long-time temperature replica-exchange molecular dynamics in aqueous solution
《Acta Biochimica et Biophysica Sinica》2011年第3期172-180,共9页Zanxia Cao Lei Liu Ping Wu Jihua Wang 
Acknowledgement We would like to thank Prof. H.J.C. Berendsen （University of Groningen） for providing us with the GROMACS programs. Funding This work was supported by grants from the National Natural Science Foundation of China （30970561 and 31000324） and the Shandong Province Natural Science Foundation （2009ZRA 14027 and 2009ZRA 14028）.
The structural and thermodynamics characters of α-syn12 （residues 1-12 of the human α-synuclein protein） peptide in aqueous solution were investigated through temperature replica-exchange molecular dynamics （T-R...
关键词：α-synl2 temperature replica exchange molecular dynamics simulation free energy surface 
Simulation of the thermodynamics of folding and unfolding of the Trp-cage mini-protein TC5b using different combinations of force fields and solvation models被引量：3
《Science China Chemistry》2010年第1期196-201,共6页ZHANG John ZengHui 
supported by the National Basic Research Program of China (Grant No. 2004CB719901);the National Natural Science Foundation of China (Grants No.10874104,20773060);the Natural Science Foundation of Shandong Province (Grant No.Z2007A05)
Molecular dynamics simulations based on AMBER force fields(ff96 and ff03) and generalized Born models(igb1 and igb5) have been carried out in order to study folding/unfolding of the Trp-cage mini-protein TC5b.The ther...
关键词：TRP-CAGE TC5b FOLDING and UNFOLDING REPLICA-EXCHANGE melting curve implicit SOLVATION 
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