title: Homology models in docking and high-throughput docking.
abstract: The use of homology models in docking-based drug discovery is already established, and provides an effective and computationally affordable alternative whenever experimental structures are not available. Recent methodological studies have confirmed and benchmarked the feasibility of using structural models in docking. However, more accurate methods are expected to be developed in the near future, especially for the model refinement stage. In this review, the latest developments in homology modeling in the context of structure-based virtual screening are presented, together with the recent success stories of homology modeling in actual docking-based drug discovery endeavours.
authors.affiliation: School of Biomedical Informatics, The University of Texas Health Science Center at Houston, 7000 Fannin, Suite 690, Houston, TX 77030, USA. Claudio.N.Cavasotto@uth.tmc.edu
authors.forename: Claudio N
authors.initials: CN
authors.lastname: Cavasotto
mesh_terms: D001665:Binding Sites; D015195:Drug Design; D057166:High-Throughput Screening Assays; D006801:Humans; D008958:Models, Molecular; D011485:Protein Binding; D011506:Proteins / Q000378:metabolism*; D013329:Structure-Activity Relationship
chemical_list: D011506:Proteins