Recent technological advances have resulted in a watershed moment in the determination of GPCR crystal structures. In the last two years, several novel structures of GPCRs have been determined in active and inactive forms. As a result, there has been a renewed enthusiasm for the use of homology modeling for virtual screening of GPCRs. We have investigated the utility of homology models in virtual screening compared to less complex methods to determine whether the additional complexity of the models warrants their use in virtual screening.

Docking into homology models of GPCRs: Is the additional complexity worth the effort?

243rd National Meeting (2012)

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