Unraveling the molecular dynamics of sugammadex-rocuronium complexation: A blueprint for cyclodextrin drug design
Amelia Anderson, Rebeca García‐Fandiño, Ángel Piñeiro, Matthew S. O’Connor
Topics & Concepts
SugammadexMetadynamicsCyclodextrinRocuroniumChemistryMolecular dynamicsNeuromuscular BlockadeDocking (animal)Computational chemistryPharmacologyAnesthesiaMedicineChromatographyPropofolNursingCrystallography and molecular interactionsSupramolecular Chemistry and ComplexesIonic liquids properties and applications