BiophysicsJournal of Chemical Information and ModelingPeer-reviewed
Physical Chemistry of Drug Permeation through the Cell Membrane with Atomistic Detail
Mirko Paulikat, GiovanniMaria Piccini, Emiliano Ippoliti…·Paolo 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.