Publications of Carsten Baldauf
All genres
Talk (31)
2017
Talk
Biomolecules in Thin Air – First-Principles Studies of Peptides and Cation-Peptide Interactions in the Gas Phase. The 22nd Biophysics Conference, Kaohsiung, Taiwan (2017)
2016
Talk
Chemische Evolution und der Ursprung des Lebens. Seminar, Institute of Chemistry and Biochemistry, Freie Universität Berlin, Berlin, Germany (2016)
Talk
First-Principles Simulation of Cation-Peptide Interaction and Carbohydrate Structure and Dynamics. Seminar, Max Planck Institute of Colloids and Interfaces, Potsdam, Germany (2016)
Talk
Potential-Energy Surfaces of Biomolecules in Isolation. Sino-German Workshop on Biomolecular Simulations Across Scales, Shanghai, China (2016)
Talk
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)
2015
Talk
Methods to Study and Represent the Potential-Energy Surface (PES) of Biomolecules in Isolation. Psi-k 2015 Conference, San Sebastian, Spain (2015)
Talk
MD, Vibrational Spectroscopy. Summer School of the Max-Planck-EPFL Center for Molecular Nanoscience and Technology, Schloss Ringberg, Kreuth, Germany (2015)
Talk
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)
Talk
Calculating theoretical CCSs. 1st Ion Mobility-Mass Spectrometry Workshop, FHI
, Berlin, Germany (2015)
Talk
Structure and dynamics of peptide foldamers from first principles. Linz Winter Workshop on Biophysics
, Linz, Austria (2015)
2014
Talk
Conformational search and landscape representation for peptide foldamers. Dagstuhl Seminar Algorithmic Cheminformatics, Dagstuhl, Germany (2014)
Talk
Mechano-reception in the A domains regulates VWF structure and function. Seminar, Institute of Pharmacy, Freie Universität Berlin
, Berlin, Germany (2014)
Talk
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)
Talk
Peptide Secondary Structure Formation in the Gas Phase from First Principles. FHI-Workshop on Current Research Topics at the FHI
, Potsdam, Germany (2014)
2013
Talk
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)
Talk
Formation of Protein Secondary Structure Motifs. Bio-Soft-Matter-Seminar, AG Netz, Physik, Freie Universität, Berlin, Germany (2013)
2012
Talk
Paradocks - Molecular Docking with Population-based Metaheuristics. Seminar, Institute of Organic Chemistry and Biochemistry, Prague, Czech Republic (2012)
Poster (1)
2014
Poster
Is there a Beta-Peptide Equivalent of the Alpha-Helix? Biophysical Society, 58th Annual Meeting, San Francisco, CA, USA (2014)
Thesis - PhD (1)
2023
Thesis - PhD
Metal Cations in Protein Force Fields: From Data Set Creation and Benchmarks to Polarizable Force Field Implementation and Adjustment. Dissertation, Freie Universität, Berlin (2023)
Thesis - Habilitation (1)
2016
Thesis - Habilitation
Biomolecular Simulations - From mechanics of a blood protein to peptides in isolation to molecular structure sampling. Habilitation, Freie Universität, Berlin (2016)