Publikationen

Banerjee, P.; Varón Silva, D.; Lipowsky, R.; Santer, M.: The importance of side branches of glycosylphosphatidylinositol anchors: a molecular dynamics perspective. Glycobiology 32 (11), S. 933 - 948 (2022)

Banerjee, P.; Lipowsky, R.; Santer, M.: Coarse-grained molecular model for the glycosylphosphatidylinositol anchor with and without protein. Journal of Chemical Theory and Computation 16 (6), S. 3889 - 3903 (2020)

Kunstmann, S.; Engström, O.; Wehle, M.; Widmalm, G.; Santer, M.; Babirz, S.: Increasing the affinity of an O-antigen polysaccharide binding site in Shigella flexneri bacteriophage Sf6 tailspike protein. Chemistry – A European Journal (2020)

Chaimovich, A.; Kremer, K.; Peter, C.: Relative Resolution: A multipole approximation at appropriate distances. Physical Review Research 1 (2), 023034 (2019)

Banerjee, P.; Wehle, M.; Lipowsky, R.; Santer, M.: A molecular dynamics model for glycosylphosphatidyl-inositol anchors: "flop down" or "lollipop"? Physical Chemistry Chemical Physics 20 (46), S. 29314 - 29324 (2018)

Georgiev, V.; Grafmüller, A.; Bléger, D.; Hecht, S.; Kunstmann, S.; Barbirz, S.; Lipowsky, R.; Dimova, R.: Area increase and budding in giant vesicles triggered by light: behind the scene. Advanced Science 5 (8), 1800432 (2018)

Kunstmann, S.; Gohlke, U.; Broeker, N. K.; Roske, Y.; Heinemann, U.; Santer, M.; Barbirz, S.: Solvent networks tune thermodynamics of oligosaccharide complex formation in an extended protein binding site. Journal of the American Chemical Society 140 (33), S. 10447 - 10455 (2018)

Muždalo, A.; Saalfrank, P.; Vreede, J.; Santer, M.: Cis-to-trans isomerization of azobenzene derivatives studied with transition path sampling and quantum mechanical/molecular mechanical molecular dynamics. Journal of Chemical Theory and Computation 14 (4), S. 2042 - 2051 (2018)

Broeker, N. K.; Andres, D.; Kang, Y.; Gohlke, U.; Schmidt, A.; Kunstmann, S.; Santer, M.; Barbirz, S.: Complex carbohydrate recognition by proteins: fundamental insights from bacteriophage cell adhesion systems. Perspectives in Science 11, S. 45 - 52 (2017)

Feldmann, D.; Maduar, S. R.; Santer, M.; Lomadze, N.; Vinogradova, O. I.; Santer, S.: Manipulation of small particles at solid liquid interface: light driven diffusioosmosis. Scientific Reports 6, 36443 (2016)

Kang, Y.; Gohlke, U.; Engström, O.; Hamark, C.; Scheidt, T.; Kunstmann, S.; Heinemann, U.; Widmalm, G.; Santer, M.; Barbirz, S.: Bacteriophage tailspikes and bacterial O-antigens as a model system to study weak-affinity protein–polysaccharide interactions. The Journal of Organic Chemistry 138 (29), S. 9109 - 9118 (2016)

Reinhardt, A.; Wehle, M.; Geißner, A.; Crouch, E. C.; Kang, Y.; Yang, Y.; Chakkumkal, A.; Santer, M.; Seeberger, P. H.: Structure binding relationship of human surfactant protein D and various lipopolysaccharide inner core structures. Journal of Structural Biology 195 (3), S. 387 - 395 (2016)

Schimka, S.; Santer, S. A.; Mujkic-Ninnemann, N.; Bléger, D.; Hartmann, L.; Wehle, M.; Lipowsky, R.; Santer, M.: Photosensitive peptidomimetic for light-controlled, reversible DNA compaction. Biomacromolecules 17 (6), S. 1959 - 1968 (2016)

Vila Verde, A.; Santer, M.; Lipowsky, R.: Solvent-shared pairs of densely charged ions induce intense but short-range supra-additive slowdown of water rotation. Physical Chemistry Chemical Physics 18 (3), S. 1918 - 1930 (2016)

Dontsova, D.; Pronkin, S.; Wehle, M.; Chen, Z.; Fettkenhauer, C.; Clavel, G.; Antonietti, M.: Triazoles: a new class of precursors for the synthesis of negatively charged carbon nitride derivatives. Chemistry of Materials 27 (15), S. 5170 - 5179 (2015)

Kang, Y.; Barbirz, S.; Lipowsky, R.; Santer, M.: Conformational diversity of O-antigen polysaccharides of the Gram-negative bacterium Shigella flexneri serotype Y. Journal of Physical Chemistry B 118 (9), S. 2523 - 2534 (2014)

Ponader, D.; Igde, S.; Wehle, M.; Märker, K.; Santer, M.; Bleger, D.; Hartmann, L.: Photoswitchable precision glycooligomers and their lectin binding. Beilstein Journal of Organic Chemistry 10, S. 1603 - 1612 (2014)

Santer, M.: New insights into lipid monolayers from coarse-grained simulation techniques. Biophysical Journal 107 (5), S. 1038 - 1039 (2014)

Stefaniu, C.; Vilotijevic, I.; Santer, M.; Brezesinski, G.; Seeberger, P. H.; Silva, D. V.: Versatility of a glycosylphosphatidylinositol fragment in forming highly ordered polymorphs. Langmuir 30 (18), S. 5185 - 5192 (2014)

Awasthi, N.; Ritschel, T.; Lipowsky, R.; Knecht, V.: Standard Gibbs energies of formation and equilibrium constants from ab-initio calculations: covalent dimerization of NO₂ and synthesis of NH₃. The Journal of Chemical Thermodynamics 62, S. 211 - 221 (2013)