de Groot, B. L. Research Group of Computational Biomolecular Dynamics, MPI for biophysical chemistry, Max Planck Society;
http://pubs.acs.org/doi/pdfplus/10.1021/bi200173n (Publisher version)
1039577.pdf (Publisher version), 999KB
Boukharta, L., Keranen, H., Stary-Weinzinger, A., Wallin, G., de Groot, B. L., & Aqvist, J. (2011). Computer simulations of structure-activity relationships for hERG channel blockers. Biochemistry, 50(27), 6146-6156. doi:10.1021/bi200173n.