Publications of Carsten Baldauf

Baldauf, C.: Potential-Energy Surfaces of Biomolecules in Isolation. Sino-German Workshop on Biomolecular Simulations Across Scales, Shanghai, China (2016)

Baldauf, C.: Sampling and Searching the Conformational Space of Molecules. Hands-on workshop and Humboldt-Kolleg: Density-Functional Theory and Beyond - Basic Principles and Modern Insights, Isfahan, Iran (2016)

Baldauf, C.: First-Principles Simulation of Cation-Peptide Interaction and Carbohydrate Structure and Dynamics. Seminar, Max Planck Institute of Colloids and Interfaces, Potsdam, Germany (2016)

Baldauf, C.: Chemische Evolution und der Ursprung des Lebens. Seminar, Institute of Chemistry and Biochemistry, Freie Universität Berlin, Berlin, Germany (2016)

Baldauf, C.: Structure and dynamics of peptide foldamers from first principles. Linz Winter Workshop on Biophysics , Linz, Austria (2015)

Baldauf, C.: Calculating theoretical CCSs. 1st Ion Mobility-Mass Spectrometry Workshop, FHI , Berlin, Germany (2015)

Baldauf, C.: MD, Vibrational Spectroscopy. Summer School of the Max-Planck-EPFL Center for Molecular Nanoscience and Technology, Schloss Ringberg, Kreuth, Germany (2015)

Baldauf, C.: Methods to Study and Represent the Potential-Energy Surface (PES) of Biomolecules in Isolation. Psi-k 2015 Conference, San Sebastian, Spain (2015)

Supady, A.; Scheffler, M.; Baldauf, C.: First-principles sampling and representation of a reduced molecular potential-energy surface. 114th General Assembly of the German Bunsen Society for Physical Chemistry, Bochum, Germany (2015)

Baldauf, C.: Peptide Secondary Structure Formation in the Gas Phase from First Principles. FHI-Workshop on Current Research Topics at the FHI , Potsdam, Germany (2014)

Baldauf, C.: Structure and dynamics of peptide foldamers from first principles. DFT and Beyond with Numeric Atom-Centered Orbitals, FHI-aims Developers' and Users' Meeting , Berlin, Germany (2014)

Baldauf, C.: Mechano-reception in the A domains regulates VWF structure and function. Seminar, Institute of Pharmacy, Freie Universität Berlin , Berlin, Germany (2014)

Baldauf, C.: Conformational search and landscape representation for peptide foldamers. Dagstuhl Seminar Algorithmic Cheminformatics, Dagstuhl, Germany (2014)

Baldauf, C.: Formation of Protein Secondary Structure Motifs. Bio-Soft-Matter-Seminar, AG Netz, Physik, Freie Universität, Berlin, Germany (2013)

Baldauf, C.: Modeling the effect of shear-flow induced tensile force on a protein and How cations change peptide structure. Seminar, Department of Biological Sciences, Middle East Technical University, Ankara, Turkey (2013)

Baldauf, C.: Paradocks - Molecular Docking with Population-based Metaheuristics. Seminar, Institute of Organic Chemistry and Biochemistry, Prague, Czech Republic (2012)

Baldauf, C.; Schubert, F.; Pagel, K.; Warnke, S.; Rossi, M.; Salwiczek, M.; Koksch, B.; Helden, G. v.; Blum, V.: Is there a Beta-Peptide Equivalent of the Alpha-Helix? Biophysical Society, 58th Annual Meeting, San Francisco, CA, USA (2014)

Hu, X.: Metal Cations in Protein Force Fields: From Data Set Creation and Benchmarks to Polarizable Force Field Implementation and Adjustment. Dissertation, Freie Universität, Berlin (2023)

Baldauf, C.: Biomolecular Simulations - From mechanics of a blood protein to peptides in isolation to molecular structure sampling. Habilitation, Freie Universität, Berlin (2016)

Schneider, M.; Baldauf, C.: Relative energetics of acetyl-histidine protomers with and without Zn²⁺ and a benchmark of energy methods. (2018)