Dynamic pharmacophores unveil binding mode ensembles for classical partial agonists at the M2 receptor
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This dataset contains the MD trajectories for the folowing project: Dynamic pharmacophores unveil binding mode ensembles for classical partial agonists at the M2 receptor.The dataset contains the trajectories of simulations of the M2 receptor in complex with the following ligands: QNB, NMS, iperoxo, pilocarpine, alvameline, cevimeline, and talsaclidine. Each complex was simulated in triplicates for 1 µs each and consits of 20.000 frames each.
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Zenodo创建时间：
2025-10-28
