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Parameterization of an effective potential for protein–ligand binding from host–guest affinity data
Force field accuracy is still one of the “stalemates” in biomolecular modeling. Model systems with high quality experimental data are valuable instruments for the validation and improvement of effective potentials. With respect to protein–ligand binding, organic host–guest complexes have long served...
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| Publicado no: | J Mol Recognit |
|---|---|
| Main Authors: | , , , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4715590/ https://ncbi.nlm.nih.gov/pubmed/26256816 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jmr.2489 |
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