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Ab initio folding of proteins using all-atom discrete molecular dynamics

Discrete molecular dynamics (DMD) is a rapid sampling method used in protein folding and aggregation studies. Until now, DMD was used to perform simulations of simplified protein models in conjunction with structure-based force fields. Here, we develop an all-atom protein model and a transferable fo...

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書目詳細資料
Main Authors: Ding, Feng, Tsao, Douglas, Nie, Huifen, Dokholyan, Nikolay V.
格式: Artigo
語言:Inglês
出版: 2008
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在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC2533517/
https://ncbi.nlm.nih.gov/pubmed/18611374
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.str.2008.03.013
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