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Article

A Docking Score Function for Estimating Ligand−Protein Interactions: Application to Acetylcholinesterase Inhibition

18 Sept 2004

Abstract excerpt

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 receptor residues....

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Identifiers

PMID: 15481986
DOI: 10.1021/jm049695v

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-08.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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