Beilstein J. Org. Chem.2017,13, 1071–1078, doi:10.3762/bjoc.13.106
- and hardware have made MD simulations a powerful tool in GPCR research. This is important because GPCRs are targeted by approximately half of the drugs on the market, so that computer-aided drug design plays a major role in GPCR research.
Keywords: computer-aided drug design; GPCR; metadynamicxs
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Graphical Abstract
Figure 1:
The cumulative number of different GPCRs for which X-ray structures were available in a given year....