In Silico Veritas: The Pitfalls and Challenges of Predicting GPCR-Ligand Interactions

In Silico Veritas: The Pitfalls and Challenges of Predicting GPCR-Ligand Interactions

Recently the first community-wide assessments of the prediction of the structures of complexes between proteins and small molecule ligands have been reported in the so-called GPCR Dock 2008 and 2010 assessments. In the current review we discuss the different steps along the protein-ligand modeling w...

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Bibliographic Details
Main Authors: Sander B. Nabuurs, Jan P.G. Klomp, Rob Leurs, Jacob De Vlieg, Iwan J.P. De Esch, Bas Vroling, Marijn P.A. Sanders, Luc Roumen, Chris De Graaf
Format: Article
Language:English
Published: MDPI AG 2011-09-01
Series:Pharmaceuticals
Subjects:
comparative modeling
ligand binding mode prediction
G protein-coupled receptor (GPCR)
GPCR Dock 2010
Online Access:http://www.mdpi.com/1424-8247/4/9/1196/

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