Virtual screening for aryl hydrocarbon receptor binding prediction.

Volume: 49, Issue: 19, Pages: 5702 - 5709
Published: Sep 21, 2006
Abstract
The overall goal of this study has been to validate computational models for predicting aryl hydrocarbon receptor (AhR) binding. Due to the unavailability of the AhR X-ray crystal structure we have decided to use QSARs models for the binding prediction virtual screening. We have built up CoMFA, Volsurf, and HQSAR models using as a training set 84 AhR ligands. Additionally, we have built a hybrid model combining two of the final selected models...
Paper Details
Title
Virtual screening for aryl hydrocarbon receptor binding prediction.
Published Date
Sep 21, 2006
Volume
49
Issue
19
Pages
5702 - 5709
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