Physical Chemistry of Drug Permeation through the Cell Membrane with Atomistic Detail
M. Paulikat, G. Piccini, E. Ippoliti, G. Rossetti, F. Arnesano, P. Carloni
The paper uses molecular dynamics simulations to study drug permeation through cell membranes, finding that the neutral form of chloroquine is the only permeating species.
bioRxiv · Jul 24, 2023 · PreprintBiophysics