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Simulation method for calculating the entropy and free energy of peptides and proteins
A method called complete hypothetical scanning Monte Carlo has been introduced for calculating the absolute entropy, S, and free energy, F, of fluids. Here, the method is extended to peptide chains in vacuum. Thus, S is calculated from a given sample by reconstructing each conformation step-by-step...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
National Academy of Sciences
2004
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC438960/ https://ncbi.nlm.nih.gov/pubmed/15197271 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0308201101 |
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