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Accelerating molecular simulations of proteins using Bayesian inference on weak information
Atomistic molecular dynamics (MD) simulations of protein molecules are too computationally expensive to predict most native structures from amino acid sequences. Here, we integrate “weak” external knowledge into folding simulations to predict protein structures, given their sequence. For example, we...
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| Publicado no: | Proc Natl Acad Sci U S A |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
National Academy of Sciences
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4586851/ https://ncbi.nlm.nih.gov/pubmed/26351667 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1515561112 |
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