Multicanonical Molecular Dynamics Simulations of the N-terminal Domain of Protein L9.

Multicanonical Molecular Dynamics Simulations of the N-terminal Domain of Protein L9.
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DOI:
10.1209/0295-5075/105/30008
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发表时间:
2014-02-01
期刊:
Europhysics letters
影响因子:
--
通讯作者:
Hansmann UH
Hansmann UH
中科院分区:
其他
文献类型:
--
作者:
Yaşar F;Jiang P;Hansmann UH

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We describe multicanonical molecular dynamic simulations of the N-terminal domain of the protein L9. Analyzing free energy landscapes and thermal ordering, we propose a possible folding mechanism for the protein. By comparing our results with that of molecular dynamics runs of the protein at constant temperature, we find that multicanonical molecular dynamics leads to orders of magnitude higher sampling of folding transitions.
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