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Protein-Ligand Electrostatic Binding Free Energies From Explicit and Implicit Solvation
Accurate yet efficient computational models of solvent environment are central for most calculations that rely on atomistic modeling, such as prediction of protein-ligand binding affinities. In this study, we evaluate the accuracy of a recently developed generalized Born implicit solvent model, GBNS...
Gardado en:
| Publicado en: | J Chem Theory Comput |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
2015
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5217485/ https://ncbi.nlm.nih.gov/pubmed/26575935 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.5b00483 |
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