BiophysicsBiophysical JournalPeer-reviewed
Membrane-mediated ligand unbinding of the PK-11195 ligand from the translocator protein (TSPO)
T. Dixon, A. Uyar, S. Ferguson-Miller, A. Dickson
This study uses molecular dynamics simulations to show PK-11195 dissociates from TSPO via the lipid membrane, not directly into solvent, with implications for designing long-residence-time ligands.
DOI 10.1016/j.bpj.2020.11.015