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Blind prediction of charged ligand binding affinities in a model binding site

Predicting absolute protein-ligand binding affinities remains a frontier challenge in ligand discovery and design. This becomes more difficult when ionic interactions are involved, because of the large opposing solvation and electrostatic attraction energies. In a blind test, we examined whether alc...

Deskribapen osoa

Gorde:
Xehetasun bibliografikoak
Egile Nagusiak: Rocklin, Gabriel J., Boyce, Sarah E., Fischer, Marcus, Fish, Inbar, Mobley, David L., Shoichet, Brian K., Dill, Ken A.
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: 2013
Gaiak:
Sarrera elektronikoa:https://ncbi.nlm.nih.gov/pmc/articles/PMC3962782/
https://ncbi.nlm.nih.gov/pubmed/23896298
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.jmb.2013.07.030
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