Peer-reviewed journal articles

1. C. Rakers, F. Schumacher, W. Meinl, H. Glatt, B. Kleuser, and G. Wolber. In silico prediction of human sulfotransferase 1E1 activity guided by pharmacophores from molecular dynamics simulations, J Biol Chem, 291(1):58-71, 2016.
   Links: [doi:10.1074/jbc.M115.685610] [Publisher]
2. M. Bermudez, C. Rakers, and G. Wolber. Structural characteristics of the allosteric binding site represent a key to subtype selective modulators of muscarinic acetylcholine receptors, Mol Inf, 34(8):526-530, 2015.
   Links: [doi:10.1002/minf.201500025] [Publisher]
3. J. Mortier, C. Rakers, M. Bermudez, M. S. Murgueitio, S. Riniker, and G. Wolber. The impact of molecular dynamics on drug design: applications for the characterization of ligand-macromolecule complexes, Drug Discov Today, 20(6):686-702, 2015.
   Links: [doi:10.1016/j.drudis.2015.01.003] [Publisher]
4. C. Rakers, M. Bermudez, B. G. Keller, J. Mortier, and G. Wolber. Computational close up on protein–protein interactions: how to unravel the invisible using molecular dynamics simulations?, WIREs Comput Mol Sci, 5(5):345-359, 2015.
   Links: [doi:10.1002/wcms.1222] [Publisher]
5. C. Rakers, S. Schwerdtfeger, J. Mortier, S. Duwe, T. Wolff, G. Wolber, and M. F. Melzig. Inhibitory potency of flavonoid derivatives on influenza virus neuraminidase, Bioorg Med Chem Lett, 24(17):4312-4317, 2014.
   Links: [doi:10.1016/j.bmcl.2014.07.010] [Publisher]
6. J. Mortier, C. Rakers, R. Frederick, and G. Wolber. Computational Tools for In Silico Fragment-Based Drug Design, Curr Top Med Chem, 12(17):1935-1943, 2012.
   Links: [ISI]