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...

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Detalles Bibliográficos
Autores principales: Perez, Alberto, Morrone, Joseph A., Brini, Emiliano, MacCallum, Justin L., Dill, Ken A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Association for the Advancement of Science 2016
Materias:
Research Articles
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5106196/
https://www.ncbi.nlm.nih.gov/pubmed/27847872
http://dx.doi.org/10.1126/sciadv.1601274

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5106196/
https://www.ncbi.nlm.nih.gov/pubmed/27847872
http://dx.doi.org/10.1126/sciadv.1601274

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