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Efficient Sampling of Protein Conformational Space Using Fast Loop Building and Batch Minimization on Highly Parallel Computers
All-atom sampling is a critical and compute-intensive end stage to protein structural modeling. Because of the vast size and extreme ruggedness of conformational space, even close to the native structure, the high-resolution sampling problem is almost as difficult as predicting the rough fold of a p...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2012
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3760475/ https://ncbi.nlm.nih.gov/pubmed/22847521 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.23069 |
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