Calderón, Jacqueline C;
Plut, Eva;
Keller, Max;
Cabrele, Chiara;
Reiser, Oliver;
Gervasio, Francesco L;
Clark, Timothy;
(2024)
Extended Metadynamics Protocol for Binding/Unbinding Free Energies of Peptide Ligands to Class A G-Protein-Coupled Receptors.
Journal of Chemical Information and Modeling
, 64
(1)
pp. 205-218.
10.1021/acs.jcim.3c01574.