Information theory based scoring function for predicting protein-ligand binding affinity
نویسندگان
چکیده
منابع مشابه
Information theory based scoring function for predicting protein-ligand binding affinity
The development and validation of a new knowledge based scoring function (SIScoreJE) to predict binding affinity between proteins and ligands is presented. SIScoreJE efficiently predicts the binding energy between a small molecule and its protein receptor. Protein-ligand atomic contact information was derived from a “nonredundant dataset” (NRD) of over 3000 X-ray crystal structures of protein-l...
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Protein-ligand docking is a computational method to identify the binding mode of a ligand and a target protein, and predict the corresponding binding affinity using a scoring function. This method has great value in drug design. After decades of development, scoring functions nowadays typically can identify the true binding mode, but the prediction of binding affinity still remains a major prob...
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ژورنال
عنوان ژورنال: Chemistry Central Journal
سال: 2008
ISSN: 1752-153X
DOI: 10.1186/1752-153x-2-s1-p44