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Evaluating conformational free energies: The colony energy and its application to the problem of loop prediction
In this paper, we introduce a method to account for the shape of the potential energy curve in the evaluation of conformational free energies. The method is based on a procedure that generates a set of conformations, each with its own force-field energy, but adds a term to this energy that favors co...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
The National Academy of Sciences
2002
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC124248/ https://ncbi.nlm.nih.gov/pubmed/12032300 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.102179699 |
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