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Use of Decoys to Optimize an All-Atom Force Field Including Hydration
A novel method of parameter optimization is proposed. It makes use of large sets of decoys generated for six nonhomologous proteins with different architecture. Parameter optimization is achieved by creating a free energy gap between sets of nativelike and nonnative conformations. The method is appl...
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| Principais autores: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
The Biophysical Society
2008
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2517034/ https://ncbi.nlm.nih.gov/pubmed/18502794 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.108.133587 |
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