Conformational entropy and specific affinity of M-cholinolytics and ligands of μ-opioid and D2-dopamine receptors
M. B. Darkhovskii, F. S. Dukhovich
The paper develops a computational model to evaluate conformational entropy changes in receptor-ligand binding and shows its role in predicting ligand affinity and receptor protection.
bioRxiv · Apr 6, 2020 · PreprintBiophysics