The Dynamic Process of Drug-GPCR Binding at Either Orthosteric or Allosteric Sites Evaluated by Metadynamics

Lignende værker

• Exploring Molecular Mechanisms of Ligand Recognition by Opioid Receptors with Metadynamics
  af: Provasi, Davide, et al.
  Udgivet: (2009)
• How Oliceridine (TRV-130) Binds and Stabilizes a μ-Opioid Receptor Conformational State That Selectively Triggers G Protein Signaling Pathways
  af: Schneider, Sebastian, et al.
  Udgivet: (2016)
• An efficient strategy to estimate thermodynamics and kinetics of G protein-coupled receptor activation using metadynamics and maximum caliber
  af: Meral, Derya, et al.
  Udgivet: (2018)
• Cooperativity between the orthosteric and allosteric ligand binding sites of RORγt
  af: de Vries, Rens M. J. M., et al.
  Udgivet: (2021)
• A combination of machine learning and infrequent metadynamics to efficiently predict kinetic rates, transition states, and molecular determinants of drug dissociation from G protein-coupled receptors
  af: Lamim Ribeiro, João Marcelo, et al.
  Udgivet: (2020)