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Accelerating physical simulations of proteins by leveraging external knowledge

It is challenging to compute structure-function relationships of proteins using molecular physics. The problem arises from the exponential scaling of the computational searching and sampling of large conformational spaces. This scaling challenge is not met by today’s methods, such as Monte Carlo, si...

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Detalhes bibliográficos
Publicado no:Wiley Interdiscip Rev Comput Mol Sci
Main Authors: Perez, Alberto, Morrone, Joseph A., Dill, Ken A.
Formato: Artigo
Idioma:Inglês
Publicado em: 2017
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5612641/
https://ncbi.nlm.nih.gov/pubmed/28959358
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/wcms.1309
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