Professur für Computational Biology

SIRAH: A structurally unbiased coarse-grained force field for proteins with aqueous solvation and long-range electrostatics (2015) Darré L, Machado MR, Brandner Giménez A, González HC, Ferreira S, Pantano SF Journal article, Original article High-throughput simulations of dimer and trimer assembly of membrane proteins. The DAFT approach (2015) Wassenaar T, Pluhackova K, Moussatova A, Sengupta D, Marrink SJ, Tieleman P, Böckmann R Journal article, Original article Phase Transition of Glycolipid Membranes Studied by Coarse-Grained Simulations (2015) Kociurzynski R, Pannuzzo M, Böckmann R Journal article, Original article Computational lipidomics with insane: A versatile tool for generating custom membranes for molecular simulations (2015) Wassenaar T, Ingolfsson H, Böckmann R, Tieleman P, Marrink SJ Journal article, Original article Synaptobrevin Transmembrane Domain Dimerization Studied by Multiscale Molecular Dynamics Simulations (2015) Han J, Pluhackova K, Wassenaar T, Böckmann R Journal article, Original article Biomembranes in atomistic and coarse-grained simulations (2015) Pluhackova K, Böckmann R Journal article, Review article Peptide-induced membrane curvature in edge-stabilized open bilayers: a theoretical and molecular dynamics study. (2014) Pannuzzo M, Raudino A, Böckmann R Journal article, Original article Energetic view on membrane pore formation. (2014) Pannuzzo M, Böckmann R Journal article, Editorial Going backward: A flexible geometric approach to reverse transformation from coarse grained to atomistic models (2014) Wassenaar T, Pluhackova K, Böckmann R, Marrink SJ, Tieleman P Journal article, Original article HLA-B27 and antigen presentation: At the crossroads between immune defense and autoimmunity (2014) Sorrentino R, Böckmann R, Fiorillo MT Journal article, Review article