BiophysicsbioRxivPreprint
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.
DOI 10.1101/2020.04.06.026302