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λ-dynamics free energy simulation methods
Free energy calculations are fundamental to obtaining accurate theoretical estimates of many important biological phenomena including hydration energies, protein-ligand binding affinities and energetics of conformational changes. Unlike traditional free energy perturbation and thermodynamic integrat...
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| Autors principals: | , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2009
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2730455/ https://ncbi.nlm.nih.gov/pubmed/19421993 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.21295 |
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