A Docking Score Function for Estimating Ligand−Protein Interactions: Application to Acetylcholinesterase Inhibition
نویسندگان
چکیده
منابع مشابه
A docking score function for estimating ligand-protein interactions: application to acetylcholinesterase inhibition.
Acetylcholinesterase (AChE) inhibition is an important research topic because of its wide range of associated health implications. A receptor-specific scoring function was developed herein for predicting binding affinities for human AChE (huAChE) inhibitors. This method entails a statistically trained weighted sum of electrostatic and van der Waals (VDW) interactions between ligands and the rec...
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ژورنال
عنوان ژورنال: Journal of Medicinal Chemistry
سال: 2004
ISSN: 0022-2623,1520-4804
DOI: 10.1021/jm049695v