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

• Main Authors: Sander B. Nabuurs (Author), Jan P.G. Klomp (Author), Rob Leurs (Author), Jacob De Vlieg (Author), Iwan J.P. De Esch (Author), Bas Vroling (Author), Marijn P.A. Sanders (Author), Luc Roumen (Author), Chris De Graaf (Author)
• Format: Book
• Published: MDPI AG, 2011-09-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

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...