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Enhanced sampling simulations to construct free-energy landscape of protein–partner substrate interaction

Molecular dynamics (MD) simulations using all-atom and explicit solvent models provide valuable information on the detailed behavior of protein–partner substrate binding at the atomic level. As the power of computational resources increase, MD simulations are being used more widely and easily. Howev...

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Dades bibliogràfiques
Publicat a:Biophys Rev
Autors principals: Ikebe, Jinzen, Umezawa, Koji, Higo, Junichi
Format: Artigo
Idioma:Inglês
Publicat: Springer Berlin Heidelberg 2016
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC5425738/
https://ncbi.nlm.nih.gov/pubmed/28510144
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s12551-015-0189-z
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