Dynamic pharmacophores unveil binding mode ensembles for classical partial agonists at the M2 receptor
Friederike Wunsch, Michael Kauk, Jenny C. Filor, Gerhard Wolber, Ulrike Holzgrabe, Carsten Hoffmann, Marcel Bermúdez
This study uses dynamic pharmacophores to analyze binding mode ensembles of M2 receptor partial agonists and shows correlations between ligand efficacy and spatial distribution of lipophilic contacts.
Journal of Chemical Information and Modeling · Mar 16, 2026Peer-reviewedBioinformatics