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Enhanced Sampling of the Molecular Potential Energy Surface Using Mutually Orthogonal Latin Squares: Application to Peptide Structures
The computational identification of the optimal three-dimensional fold of even a small peptide chain from its sequence, without reference to other known structures, is a complex problem. There have been several attempts at solving this by sampling the potential energy surface of the molecule in a sy...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Biophysical Society
2003
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC1302853/ https://ncbi.nlm.nih.gov/pubmed/12719222 |
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