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Method to Predict Crowding Effects by Postprocessing Molecular Dynamics Trajectories: Application to the Flap Dynamics of HIV-1 Protease

[Image: see text] The internal dynamics of proteins inside of cells may be affected by the crowded intracellular environments. Here, we test a novel approach to simulations of crowding, in which simulations in the absence of crowders are postprocessed to predict crowding effects, against the direct...

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Autori principali: Qin, Sanbo, Minh, David D. L., McCammon, J. Andrew, Zhou, Huan-Xiang
Natura: Artigo
Lingua:Inglês
Pubblicazione: American Chemical Society 2009
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC2837415/
https://ncbi.nlm.nih.gov/pubmed/20228897
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jz900023w
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