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Transmembrane Helix Assembly by Window Exchange Umbrella Sampling

A method of window exchange umbrella sampling molecular dynamics simulation is employed for transmembrane helix assembly. An analytical expression for the average acceptance probability between neighboring windows is derived and combined with the first passage time optimization method to predetermin...

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Hlavní autoři: Park, Soohyung, Kim, Taehoon, Im, Wonpil
Médium: Artigo
Jazyk:Inglês
Vydáno: 2012
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC3657132/
https://ncbi.nlm.nih.gov/pubmed/22463457
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