HIGHLIGHTS
- who: Leslie Salas-Estrada and collaborators from the Philipps-Universitu00e4t Marburg, Germany University of Mu00fcnster, Germany have published the research work: Metadynamics simulations leveraged by statistical analyses and artificial intelligence-based tools to inform the discovery of G protein-coupled receptor ligands, in the Journal: (JOURNAL)
- how: Subsequent MetaD simulations the authors carried out on the b2AR (see section below for additional details and Table 1) confirmed the presence of one different inactive-like and one different active-like macrostates in addition to those whose conformations closely resembled the experimentally known inactive and active structures . . .
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