Ensemble Docking from Homology Models

• Published in: Journal of chemical theory and computation Vol. 6; no. 8; pp. 2547 - 2557
• Main Authors: Novoa, Eva Maria, Pouplana, Lluis Ribas de, Barril, Xavier, Orozco, Modesto
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 10.08.2010
• Subjects: Structure Prediction

We present here a systematic exploration of the quality of protein structures derived from homology modeling when used as templates for high-throughput docking. It is found that structures derived from homology modeling are often similar in quality for docking purposes than real crystal structures,...