Publications of Carsten Baldauf

Posch, S.; Aponte-Santamaría, C.; Schwarzl, R.; Karner, A.; Radtke, M.; Gräter, F.; Obser, T.; König, G.; Brehm, M. A.; Gruber, H. J. et al.; Netz, R. R.; Baldauf, C.; Schneppenheim, R.; Tampé, R.; Hinterdorfer, P.: Single molecule force spectroscopy data and BD- and MD simulations on the blood protein von Willebrand factor. Data in Brief 8, pp. 1080 - 1087 (2016)

Hoffmann, W.; Marianski, M.; Warnke, S.; Seo, J.; Baldauf, C.; Helden, G. v.; Pagel, K.: Assessing the stability of alanine-based helices by conformer-selective IR spectroscopy. Physical Chemistry Chemical Physics 18 (29), pp. 19950 - 19954 (2016)

Voronina, L.; Masson, A.; Kamrath, M.; Schubert, F.; Clemmer, D.; Baldauf, C.; Rizzo, T.: Conformations of Prolyl–Peptide Bonds in the Bradykinin 1–5 Fragment in Solution and in the Gas Phase. Journal of the American Chemical Society 138 (29), pp. 9224 - 9233 (2016)

Lippok, S.; Kolsek, K.; Löf, A.; Eggert, D.; Vanderlinden, W.; Müller, J. P.; König, G.; Obser, T.; Röhrs, K.; Schneppenheim, S. et al.; Budde, U.; Baldauf, C.; Aponte-Santamaría, C.; Gräter, F.; Schneppenheim, R.; Rädler, J. O.; Brehm, M.: Von Willebrand factor is dimerized by protein disulfide isomerase. Blood 127 (9), pp. 1183 - 1191 (2016)

Pecina, A.; Meier, R.; Fanfrlík, J.; Řezáč, J.; Hobza, P.; Baldauf, C.: The SQM/COSMO filter: reliable native pose identification based on the quantum-mechanical description of protein–ligand interactions and implicit COSMO solvation. Chemical Communications 52 (16), pp. 3312 - 3315 (2016)

Ropo, M.; Schneider, M.; Baldauf, C.; Blum, V.: First-principles data set of 45,892 isolated and cation-coordinated conformers of 20 proteinogenic amino acids. Scientific Data 3, 160009 (2016)

Chen, P.; Marianski, M.; Baldauf, C.: H-Bond Isomerization in Crystalline Cellulose III_I: Proton Hopping versus Hydroxyl Flip-Flop. ACS Macro Letters 5 (1), pp. 50 - 54 (2016)

Baldauf, C.; Rossi, M.: Going clean: structure and dynamics of peptides in the gas phase and paths to solvation. Journal of Physics: Condensed Matter 27 (49), 493002 (2015)

Supady, A.; Blum, V.; Baldauf, C.: First-Principles Molecular Structure Search with a Genetic Algorithm. Journal of Chemical Information and Modeling 55 (11), pp. 2338 - 2348 (2015)

Brehm, M.; Lippok, S.; Kolšek, K.; Eggert, D.; Obser, T.; Schneppenheim, R.; Gaeter, F.; Baldauf, C.; Rädler, J.: Role of protein disulfide isomerase pdi in von Willebrand factor dimerization. Journal of Thrombosis and Haemostasis 13 (S2), OR335, p. 223 - 223 (2015)

Hogg, P.; Butera, D.; Andrews, R.; Gardiner, E.; Davis, A.; Murphy, D.; Baker, R.; Thom, J.; Chen, V.; Luken, B. et al.; Wong, J.; Aponte-Santamaria, C.; Bronowska, A.; Baldauf, C.; Graeter, F.: The von Willebrand factor A2 domain disulfide bond exists in oxidized and reduced states in the circulation and regulates function. Journal of Thrombosis and Haemostasis 13 (S2), PO669-TUE, p. 750 - 750 (2015)

Aponte-Santamaría, C.; Huck, V.; Posch, S.; Bronowska, A. K.; Grässle, S.; Brehm, M. A.; Obser, T.; Schneppenheim, R.; Hinterdorfer, P.; Schneider, S. W. et al.; Baldauf, C.; Gräter, F.: Force-Sensitive Autoinhibition of the von Willebrand Factor ls Mediated by Interdomain Interactions. Biophysical Journal 108 (9), pp. 2312 - 2321 (2015)

Mortier, J.; Nyakatura, E. K.; Reimann, O.; Huhmann, S.; Daldrop, J. O.; Baldauf, C.; Wolber, G.; Miettinen, M. S.; Koksch, B.: Coiled-Coils in Phage Display Screening: Insight into Exceptional Selectivity Provided by Molecular Dynamics. Journal of Chemical Information and Modeling 55 (3), pp. 495 - 500 (2015)

Schubert, F.; Rossi, M.; Baldauf, C.; Pagel, K.; Warnke, S.; Helden, G. v.; Filsinger, F.; Kupser, P.; Meijer, G.; Salwiczek, M. et al.; Koksch, B.; Scheffler, M.; Blum, V.: Exploring the conformational preferences of 20-residue peptides in isolation: Ac-Ala₁₉-Lys + H⁺ vs. Ac-Lys-Ala₁₉ + H⁺ and the current reach of DFT. Physical Chemistry Chemical Physics 17 (11), pp. 7373 - 7385 (2015)

Schubert, F.; Pagel, K.; Rossi, M.; Warnke, S.; Salwiczek, M.; Koksch, B.; Helden, G. v.; Blum, V.; Baldauf, C.; Scheffler, M.: Native like helices in a specially designed β peptide in the gas phase. Physical Chemistry Chemical Physics 17 (7), pp. 5376 - 5385 (2015)

Santamaría, C. A. A.; Huck, V.; Posch, S.; Bronowska, A. K.; Grässle, S.; Brehm, M. A.; Obser, T.; Schneppenheim, R.; Hinterdorfer, P.; Schneider, S. W. et al.; Baldauf, C.; Gräter, F.: Mechanosensitive Von Willebrand Factor Protein-Protein Interactions Regulate Hemostasis. Biophysical Journal 108 (2, Suppl. 1), p. 505A - 505A (2015)

Nyakatura, E. K.; Mortier, J.; Radtke, V. S.; Wieczorek, S.; Araghi, R. R.; Baldauf, C.; Wolber, G.; Koksch, B.: β- and γ-Amino Acids at α-Helical Interfaces: Toward the Formation of Highly Stable Foldameric Coiled Coils. ACS Medicinal Chemistry Letters 5 (12), pp. 1300 - 1303 (2014)

Warnke, S.; Baldauf, C.; Bowers, M. T.; Pagel, K.; Helden, G. v.: Photodissociation of Conformer-Selected Ubiquitin Ions Reveals Site-Specific Cis/Trans Isomerization of Proline Peptide Bonds. Journal of the American Chemical Society 136 (29), pp. 10308 - 10314 (2014)

Brehm, M. A.; Huck, V.; Aponte-Santamaría, C.; Obser, T.; Grässle, S.; Oyen, F.; Budde, U.; Schneppenheim, S.; Baldauf, C.; Gräter, F. et al.; Schneider, S. W.; Schneppenheim, R.: von Willebrand disease type 2A phenotypes IIC, IID and IIE: A day in the life of shear-stressed mutant von Willebrand factor. Thrombosis and Haemostasis 112 (1), pp. 96 - 108 (2014)

Grässle, S.; Huck, V.; Pappelbaum, K. I.; Gorzelanny, C.; Aponte-Santamaría, C.; Baldauf, C.; Gräter, F.; Schneppenheim, R.; Obser, T.; Schneider, S. W.: von Willebrand Factor Directly Interacts With DNA From Neutrophil Extracellular Traps. Arteriosclerosis, Thrombosis, and Vascular Biology: an Official Journal of the American Heart Association 34 (7), pp. 1382 - 1389 (2014)