Professur für Computational Biology

Molecular dynamics simulations of membrane proteins. (2013) Pluhackova K, Wassenaar T, Böckmann R Journal article, Original article Assessing the accuracy of the SIRAH force field to model DNA at coarse grain level (2013) Dans PD, Darré L, Machado MR, Zeida A, Brandner Giménez A, Pantano SF Authored book, Monography Interaction pattern of Arg 62 in the A-pocket of differentially disease-associated HLA-B27 subtypes suggests distinct TCR binding modes. (2012) Nurzia E, Narzi D, Cauli A, Mathieu A, Tedeschi V, Caristi S, Sorrentino R, et al. Journal article, Original article Membrane-proximal tryptophans of synaptobrevin II stabilize priming of secretory vesicles. (2012) Borisovska M, Schwarz YN, Dhara M, Yarzagaray A, Hugo S, Narzi D, Siu SWI, et al. Journal article, Original article Dynamical characterization of two differentially disease associated MHC class I proteins in complex with viral and self-peptides. (2012) Narzi D, Becker C, Fiorillo MT, Uchanska-Ziegler B, Ziegler A, Böckmann R Journal article, Original article Optimization of the OPLS-AA force field for long hydrocarbons (2012) Siu SWI, Pluhackova K, Böckmann R Journal article, Original article Contribution of charged and polar residues for the formation of the E1-E2 heterodimer from Hepatitis C Virus. (2010) Jusoh SA, Welsch C, Siu SWI, Böckmann R, Helms V Journal article, Original article Mechanism of interaction of monovalent ions with phosphatidylcholine lipid membranes. (2010) Vacha R, Jurkiewicz P, Petrov M, Berkowitz ML, Böckmann R, Barucha-Kraszewska J, Hof M, Jungwirth P Journal article Effects of alkali cations and halide anions on the DOPC lipid membrane. (2009) Vacha R, Siu SWI, Petrov M, Böckmann R, Barucha-Kraszewska J, Jurkiewicz P, Hof M, et al. Journal article, Original article Low free energy barrier for ion permeation through double-helical gramicidin. (2009) Böckmann R, Siu SWI Journal article, Original article