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Blind protein structure prediction using accelerated free-energy simulations

We report a key proof of principle of a new acceleration method [Modeling Employing Limited Data (MELD)] for predicting protein structures by molecular dynamics simulation. It shows that such Boltzmann-satisfying techniques are now sufficiently fast and accurate to predict native protein structures...

Deskribapen osoa

Gorde:
Xehetasun bibliografikoak
Argitaratua izan da:Sci Adv
Egile Nagusiak: Perez, Alberto, Morrone, Joseph A., Brini, Emiliano, MacCallum, Justin L., Dill, Ken A.
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: American Association for the Advancement of Science 2016
Gaiak:
Sarrera elektronikoa:https://ncbi.nlm.nih.gov/pmc/articles/PMC5106196/
https://ncbi.nlm.nih.gov/pubmed/27847872
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1126/sciadv.1601274
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