Publications of Carsten Baldauf

Journal Article (44)

2024
Journal Article
Hu, Xiaojuan, Kazi S. Amin, Markus Schneider, Carmay Lim, Dennis Salahub and Carsten Baldauf: System-Specific Parameter Optimization for Nonpolarizable and Polarizable Force Fields.
MPG.PuRe
DOI
publisher-version
2023
Journal Article
Lin, Qi, Hao Lan, Chunmiao Ma, Ryan T. Stendall, Kenneth Shankland, Rebecca A. Musgrave, Peter N. Horton, Carsten Baldauf, Hans-Jörg Hofmann, Craig P. Butts, Manuel M. Müller and Alexander J.A. Cobb: Crystal Structure and NMR of an α,δ-Peptide Foldamer Helix Shows Side-Chains are Well Placed for Bifunctional Catalysis: Application as a Minimalist Aldolase Mimic.
MPG.PuRe
DOI
publisher-version
2022
Journal Article
Chakraborty, Arghya, Thomas Brumme, Sonja Schmahl, Hendrik Weiske, Carsten Baldauf and Knut R. Asmis: Impact of anion polarizability on ion pairing in microhydrated salt clusters.
MPG.PuRe
DOI
publisher-version
Journal Article
Hu, Xiaojuan, Maja-Olivia Lenz and Carsten Baldauf: Better force fields start with better data: A data set of cation dipeptide interactions.
MPG.PuRe
DOI
publisher-version
2021
Journal Article
Maksimov, Dmitrii, Carsten Baldauf and Mariana Rossi: The conformational space of a flexible amino acid at metallic surfaces.
MPG.PuRe
DOI
publisher-version
2020
Journal Article
Amin, Kazi S., Xiaojuan Hu, Dennis R. Salahub, Carsten Baldauf, Carmay Lim and Sergei Noskov: Benchmarking polarizable and non-polarizable force fields for Ca2+-peptides against a comprehensive QM dataset.
MPG.PuRe
DOI
publisher-version
2019
Journal Article
Lokare, Kapil Shyam, Beatrice Braun‐Cula, Christian Limberg, Marcel Jorewitz, John T. Kelly, Knut R. Asmis, Stephen Leach, Carsten Baldauf, Itziar Goikoetxea and Joachim Sauer: Structure and Reactivity of Al−O(H)−Al Moieties in Siloxide Frameworks: Solution and Gas‐Phase Model Studies.
MPG.PuRe
DOI
2018
Journal Article
Butera, Diego, Freda Passam, Lining Ju, Kristina M. Cook, Heng Woon, Camilo Aponte-Santamaría, Elizabeth Gardiner, Amanda K. Davis, Deirdre A. Murphy, Agnieszka Bronowska, Brenda M. Luken, Carsten Baldauf, Shaun Jackson, Robert Andrews, Frauke Gräter and Philip J. Hogg: Autoregulation of von Willebrand factor function by a disulfide bond switch.
MPG.PuRe
DOI
publisher-version
Journal Article
Klyne, Johanna, Aude Bouchet, Shun-ichi Ishiuchi, Masaaki Fujii, Markus Schneider, Carsten Baldauf and Otto Dopfer: Probing chirality recognition of protonated glutamic acid dimers by gas-phase vibrational spectroscopy and first-principles simulations.
MPG.PuRe
DOI
publisher-version
Journal Article
Scutelnic, Valeriu, Marta A.S. Perez, Mateusz Marianski, Stephan Warnke, Aurelien Gregor, Ursula Rothlisberger, Michael T. Bowers, Carsten Baldauf, Gert von Helden, Thomas R. Rizzo and Jongcheol Seo: The Structure of the Protonated Serine Octamer.
MPG.PuRe
DOI
publisher-version
2017
Journal Article
Aponte-Santamaría, Camilo, Svenja Lippok, Judith J. Mittag, Tobias Obser, Reinhard Schneppenheim, Carsten Baldauf, Frauke Gräter, Ulrich Budde and Joachim O. Rädler: Mutation G1629E Increases von Willebrand Factor Cleavage via a Cooperative Destabilization Mechanism.
MPG.PuRe
DOI
Journal Article
Aponte-Santamaria, Camilo Andres, Svenja Lippok, Judith J. Mittag, Tobias Obser, Reinhard Schneppenheim, Carsten Baldauf, Frauke Gräter, Ulrich Budde and Joachim O. Rädler: Mechano-Induced Unfolding of Von Willebrand Factor: A Clinical Example of Protein Destabilization.
MPG.PuRe
DOI
Journal Article
De, Sandip, Felix Musil, Teresa Ingram, Carsten Baldauf and Michele Ceriotti: Mapping and classifying molecules from a high-throughput structural database.
MPG.PuRe
DOI
publisher-version
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: Mutual A domain interactions in the force sensing protein von Willebrand factor.
MPG.PuRe
DOI
publisher-version
Journal Article
Schneider, Markus, Chiara Masellis, Thomas Rizzo and Carsten Baldauf: Kinetically Trapped Liquid-State Conformers of a Sodiated Model Peptide Observed in the Gas Phase.
MPG.PuRe
DOI
publisher-version
Journal Article
Supady, Adriana, Stefan Hecht and Carsten Baldauf: About Underappreciated Yet Active Conformations of Thiourea Organocatalysts.
MPG.PuRe
DOI
publisher-version
2016
Journal Article
Chen, Pan, Mateusz Marianski and Carsten Baldauf: H-Bond Isomerization in Crystalline Cellulose IIII: Proton Hopping versus Hydroxyl Flip-Flop.
MPG.PuRe
DOI
Journal Article
Hoffmann, Waldemar, Mateusz Marianski, Stephan Warnke, Jongcheol Seo, Carsten Baldauf, Gert von Helden and Kevin Pagel: Assessing the stability of alanine-based helices by conformer-selective IR spectroscopy.
MPG.PuRe
DOI
publisher-version
Journal Article
Lippok, Svenja, Katra Kolsek, Achim Löf, Dennis Eggert, Willem Vanderlinden, Jochen P. Müller, Gesa König, Tobias Obser, Karoline Röhrs, Sonja Schneppenheim, Ulrich Budde, Carsten Baldauf, Camilo Aponte-Santamaría, Frauke Gräter, Reinhard Schneppenheim, Joachim O. Rädler and Maria Brehm: Von Willebrand factor is dimerized by protein disulfide isomerase.
MPG.PuRe
DOI
Journal Article
Marianski, Mateusz, Adriana Supady, Teresa Ingram, Markus Schneider and Carsten Baldauf: Assessing the Accuracy of Across-the-Scale Methods for Predicting Carbohydrate Conformational Energies for the Examples of Glucose and α-Maltose.
MPG.PuRe
DOI
Web-View
Print Page
Open in new window
Estimated DIN-A4 page-width
Go to Editor View