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The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities
Introduction: The molecular mechanics energies combined with the Poisson–Boltzmann or generalized Born and surface area continuum solvation (MM/PBSA and MM/GBSA) methods are popular approaches to estimate the free energy of the binding of small ligands to biological macromolecules. They are typicall...
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| Publicado no: | Expert Opin Drug Discov |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Informa Healthcare
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4487606/ https://ncbi.nlm.nih.gov/pubmed/25835573 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1517/17460441.2015.1032936 |
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