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A New Method for Calculating the Absolute Free energy of Binding: the Effect of a Mobile Loop on the Avidin/Biotin Complex
Hypothetical scanning molecular dynamics (HSMD) is a relatively new method for calculating the absolute free energy and entropy. HSMD is extended here for the first time for calculating the absolute free energy of binding, ΔA(0), as applied to the avidin-biotin complex. With HSMD the ligand is built...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2010
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3042141/ https://ncbi.nlm.nih.gov/pubmed/21158467 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp1076752 |
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