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Physics Based Protein Structure Refinement through Multiple Molecular Dynamics Trajectories and Structure Averaging
We used molecular dynamics (MD) simulations for structure refinement of CASP10 targets. Refinement was achieved by selecting structures from the MD-based ensembles followed by structural averaging. The overall performance of this method in CASP10 is described and specific aspects are analyzed in det...
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| Auteurs principaux: | , , |
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| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
2013
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| Sujets: | |
| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4212311/ https://ncbi.nlm.nih.gov/pubmed/23737254 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/prot.24336 |
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