Publikationen von Carsten Baldauf

Marianski, M., A. Supady, T. Ingram, M. Schneider und C. Baldauf: Assessing the Accuracy of Across-the-Scale Methods for Predicting Carbohydrate Conformational Energies for the Examples of Glucose and α-Maltose. Journal of Chemical Theory and Computation 12 (12), 6157–6168 (2016).

Pecina, A., R. Meier, J. Fanfrlík, J. Řezáč, P. Hobza und C. Baldauf: 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), 3312–3315 (2016).

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

Ropo, M., V. Blum und C. Baldauf: Trends for isolated amino acids and dipeptides: Conformation, divalent ion binding, and remarkable similarity of binding to calcium and lead. Scientific Reports 6, 35772 (2016).

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

Struwe, W.B., C. Baldauf, J. Hofmann, P.M. Rudd und K. Pagel: Ion mobility separation of deprotonated oligosaccharide isomers – evidence for gas-phase charge migration. Chemical Communications 52 (83), 12353–12356 (2016).

Voronina, L., A. Masson, M. Kamrath, F. Schubert, D. Clemmer, C. Baldauf und T. Rizzo: 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), 9224–9233 (2016).

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

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

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

Hogg, P., D. Butera, R. Andrews, E. Gardiner, A. Davis, D. Murphy, R. Baker, J. Thom, V. Chen, B. Luken, J. Wong, C. Aponte-Santamaria, A. Bronowska, C. Baldauf und F. Graeter: 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 (2015).

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

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

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

Schubert, F., M. Rossi, C. Baldauf, K. Pagel, S. Warnke, G.von Helden, F. Filsinger, P. Kupser, G. Meijer, M. Salwiczek, B. Koksch, M. Scheffler und V. Blum: 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), 7373–7385 (2015).

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

Brehm, M.A., V. Huck, C. Aponte-Santamaría, T. Obser, S. Grässle, F. Oyen, U. Budde, S. Schneppenheim, C. Baldauf, F. Gräter, S.W. Schneider und R. Schneppenheim: 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), 96–108 (2014).

Grässle, S., V. Huck, K.I. Pappelbaum, C. Gorzelanny, C. Aponte-Santamaría, C. Baldauf, F. Gräter, R. Schneppenheim, T. Obser und S.W. Schneider: 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), 1382–1389 (2014).

Nyakatura, E.K., R.R. Araghi, J. Mortier, S. Wieczorek, C. Baldauf, G. Wolber und B. Koksch: An Unusual Interstrand H-Bond Stabilizes the Heteroassembly of Helical αβγ-Chimeras with Natural Peptides. ACS Chemical Biology 9 (3), 613–616 (2014).

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