Publications of Carsten Baldauf

Journal Article (44)

2016
Journal Article
Pecina, Adam, René Meier, Jindřich Fanfrlík, Jan Řezáč, Pavel Hobza and Carsten Baldauf: The SQM/COSMO filter: reliable native pose identification based on the quantum-mechanical description of protein–ligand interactions and implicit COSMO solvation.
Journal Article
Posch, Sandra, Camilo Aponte-Santamaría, Richard Schwarzl, Andreas Karner, Matthias Radtke, Frauke Gräter, Tobias Obser, Gesa König, Maria A. Brehm, Hermann J. Gruber, Roland R. Netz, Carsten Baldauf, Reinhard Schneppenheim, Robert Tampé and Peter Hinterdorfer: Single molecule force spectroscopy data and BD- and MD simulations on the blood protein von Willebrand factor.
Journal Article
Ropo, Matti, Volker Blum and Carsten Baldauf: Trends for isolated amino acids and dipeptides: Conformation, divalent ion binding, and remarkable similarity of binding to calcium and lead.
Journal Article
Ropo, Matti, Markus Schneider, Carsten Baldauf and Volker Blum: First-principles data set of 45,892 isolated and cation-coordinated conformers of 20 proteinogenic amino acids.
Journal Article
Struwe, W.B., Carsten Baldauf, Johanna Hofmann, P.M. Rudd and Kevin Pagel: Ion mobility separation of deprotonated oligosaccharide isomers – evidence for gas-phase charge migration.
Journal Article
Voronina, Liudmila, Antoine Masson, Michael Kamrath, Franziska Schubert, David Clemmer, Carsten Baldauf and Thomas Rizzo: Conformations of Prolyl–Peptide Bonds in the Bradykinin 1–5 Fragment in Solution and in the Gas Phase.
2015
Journal Article
Aponte-Santamaría, Camilo, Volker Huck, Sandra Posch, Agnieszka K. Bronowska, Sandra Grässle, Maria A. Brehm, Tobias Obser, Reinhard Schneppenheim, Peter Hinterdorfer, Stefan W. Schneider, Carsten Baldauf and Frauke Gräter: Force-Sensitive Autoinhibition of the von Willebrand Factor ls Mediated by Interdomain Interactions.
Journal Article
Baldauf, Carsten and Mariana Rossi: Going clean: structure and dynamics of peptides in the gas phase and paths to solvation.
Journal Article
Brehm, M.A., S. Lippok, K. Kolšek, D. Eggert, T. Obser, R. Schneppenheim, F. Gaeter, Carsten Baldauf and J. Rädler: Role of protein disulfide isomerase pdi in von Willebrand factor dimerization.
Journal Article
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, Carsten Baldauf and F. Graeter: The von Willebrand factor A2 domain disulfide bond exists in oxidized and reduced states in the circulation and regulates function.
Journal Article
Mortier, Jeremie, Elisabeth K. Nyakatura, Oliver Reimann, Susanne Huhmann, Jan O. Daldrop, Carsten Baldauf, Gerhard Wolber, Markus S. Miettinen and Beate Koksch: Coiled-Coils in Phage Display Screening: Insight into Exceptional Selectivity Provided by Molecular Dynamics.
Journal Article
Santamaría, Camilo A.Aponte, Volker Huck, Sandra Posch, Agnieszka K. Bronowska, Sandra Grässle, Maria A. Brehm, Tobias Obser, Reinhard Schneppenheim, Peter Hinterdorfer, Stefan W. Schneider, Carsten Baldauf and Frauke Gräter: Mechanosensitive Von Willebrand Factor Protein-Protein Interactions Regulate Hemostasis.
Journal Article
Schubert, Franziska, Kevin Pagel, Mariana Rossi, Stephan Warnke, Mario Salwiczek, Beate Koksch, Gert von Helden, Volker Blum, Carsten Baldauf and Matthias Scheffler: Native like helices in a specially designed β peptide in the gas phase.
Journal Article
Schubert, Franziska, Mariana Rossi, Carsten Baldauf, Kevin Pagel, Stephan Warnke, Gert von Helden, Frank Filsinger, Peter Kupser, Gerard Meijer, Mario Salwiczek, Beate Koksch, Matthias Scheffler and Volker 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.
Journal Article
Supady, Adriana, Volker Blum and Carsten Baldauf: First-Principles Molecular Structure Search with a Genetic Algorithm.
2014
Journal Article
Brehm, M.A., V. Huck, C. Aponte-Santamaría, T. Obser, S. Grässle, F. Oyen, U. Budde, S. Schneppenheim, Carsten Baldauf, F. Gräter, S.W. Schneider and R. Schneppenheim: von Willebrand disease type 2A phenotypes IIC, IID and IIE: A day in the life of shear-stressed mutant von Willebrand factor.
Journal Article
Grässle, Sandra, Volker Huck, Karin I. Pappelbaum, Christian Gorzelanny, Camilo Aponte-Santamaría, Carsten Baldauf, Frauke Gräter, Reinhard Schneppenheim, Tobias Obser and Stefan W. Schneider: von Willebrand Factor Directly Interacts With DNA From Neutrophil Extracellular Traps.
Journal Article
Nyakatura, Elisabeth K., Raheleh Rezaei Araghi, Jérémie Mortier, Sebastian Wieczorek, Carsten Baldauf, Gerhard Wolber and Beate Koksch: An Unusual Interstrand H-Bond Stabilizes the Heteroassembly of Helical αβγ-Chimeras with Natural Peptides.
Journal Article
Nyakatura, Elisabeth K., Jérémie Mortier, Vanessa S. Radtke, Sebastian Wieczorek, Raheleh Rezaei Araghi, Carsten Baldauf, Gerhard Wolber and Beate Koksch: β- and γ-Amino Acids at α-Helical Interfaces: Toward the Formation of Highly Stable Foldameric Coiled Coils.
Journal Article
Warnke, Stephan, Carsten Baldauf, Michael T. Bowers, Kevin Pagel and Gert von Helden: Photodissociation of Conformer-Selected Ubiquitin Ions Reveals Site-Specific Cis/Trans Isomerization of Proline Peptide Bonds.
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