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Ligand‐Supported Homology Modeling of G‐Protein‐Coupled Receptor Sites: Models Sufficient for Successful Virtual Screening
Author(s) -
Evers Andreas,
Klebe Gerhard
Publication year - 2003
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200352776
Subject(s) - virtual screening , homology modeling , computational biology , construct (python library) , computer science , homology (biology) , ligand (biochemistry) , g protein coupled receptor , receptor , bioinformatics , drug discovery , biology , genetics , biochemistry , programming language , amino acid , enzyme
Virtual proteins : A computer method is described that uses ligand information in the homology modeling of proteins. This method was used to construct a model of a G‐protein‐coupled receptor, which was successfully used as a basis for structure‐based drug design by virtual computer screening (see picture).