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Folding Simulations for Proteins with Diverse Topologies Are Accessible in Days with a Physics-Based Force Field and Implicit Solvent

[Image: see text] The millisecond time scale needed for molecular dynamics simulations to approach the quantitative study of protein folding is not yet routine. One approach to extend the simulation time scale is to perform long simulations on specialized and expensive supercomputers such as Anton....

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Autors principals: Nguyen, Hai, Maier, James, Huang, He, Perrone, Victoria, Simmerling, Carlos
Format: Artigo
Idioma:Inglês
Publicat: American Chemical Society 2014
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC4195377/
https://ncbi.nlm.nih.gov/pubmed/25255057
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja5032776
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