Sodium or Not Sodium: Should Its Presence Affect the Accuracy of Pose Prediction in Docking GPCR Antagonists?

• Hoofdauteurs: Davide Bassani (Auteur), Matteo Pavan (Auteur), Mattia Sturlese (Auteur), Stefano Moro (Auteur)
• Formaat: Boek
• Gepubliceerd in: MDPI AG, 2022-03-01T00:00:00Z.
• Onderwerpen: article
• Online toegang: Connect to this object online.

The function of the allosteric sodium ion in stabilizing the inactive form of GPCRs has been extensively described in the past decades. Its presence has been reported to be essential for the binding of antagonist molecules in the orthosteric site of these very important therapeutical targets. Among...