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Molecular dynamics simulations of protein folding from the transition state

Putative transition-state ensemble (TSE) conformations of src SH3 were identified by monitoring the deviation from the experimental φ values along molecular dynamics (MD) simulations of unfolding. Sixty MD trajectories (for a total of about 7 μs) were then started from the putative TSE. About one-ha...

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Autors principals: Gsponer, Jörg, Caflisch, Amedeo
Format: Artigo
Idioma:Inglês
Publicat: The National Academy of Sciences 2002
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC124469/
https://ncbi.nlm.nih.gov/pubmed/11983864
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.092686399
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