Extended Metadynamics Protocol for Binding/Unbinding Free Energies of Peptide Ligands to Class A G-Protein-Coupled Receptors.
Jacqueline C. CalderónEva PlutMax KellerChiara CabreleOliver ReiserFrancesco L. GervasioTimothy ClarkPublished in: J. Chem. Inf. Model. (2024)