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A displaced-solvent functional analysis of model hydrophobic enclosures
Calculation of protein-ligand binding affinities continues to be a hotbed of research. Although many techniques for computing protein-ligand binding affinities have been introduced--ranging from computationally very expensive approaches, such as free energy perturbation (FEP) theory; to more approxi...
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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/PMC2996620/ https://ncbi.nlm.nih.gov/pubmed/21135914 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct100215c |
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