Publications of Carsten Baldauf
All genres
Talk (31)
2016
Talk
Baldauf, Carsten: Potential-Energy Surfaces of Biomolecules in Isolation.
(Sino-German Workshop on Biomolecular Simulations Across Scales, Shanghai, China, May 2016).
Talk
Baldauf, Carsten: 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, May 2016).
Talk
Baldauf, Carsten: First-Principles Simulation of Cation-Peptide Interaction and Carbohydrate Structure and Dynamics.
(Seminar, Max Planck Institute of Colloids and Interfaces, Potsdam, Germany, Jun 2016).
Talk
Baldauf, Carsten: Chemische Evolution und der Ursprung des Lebens.
(Seminar, Institute of Chemistry and Biochemistry, Freie Universität Berlin, Berlin, Germany, Dec 2016).
2015
Talk
Baldauf, Carsten: Structure and dynamics of peptide foldamers from first principles.
(Linz Winter Workshop on Biophysics
, Linz, Austria, Feb 2015).
Talk
Baldauf, Carsten: Calculating theoretical CCSs.
(1st Ion Mobility-Mass Spectrometry Workshop, FHI
, Berlin, Germany, Mar 2015).
Talk
Baldauf, Carsten: MD, Vibrational Spectroscopy.
(Summer School of the Max-Planck-EPFL Center for Molecular Nanoscience and Technology, Schloss Ringberg, Kreuth, Germany, Jul 2015).
Talk
Baldauf, Carsten: Methods to Study and Represent the Potential-Energy Surface (PES) of Biomolecules in Isolation.
(Psi-k 2015 Conference, San Sebastian, Spain, Sep 2015).
Talk
Supady, Adriana, Matthias Scheffler and Carsten Baldauf: 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, May 2015).
2014
Talk
Baldauf, Carsten: Peptide Secondary Structure Formation in the Gas Phase from First Principles.
(FHI-Workshop on Current Research Topics at the FHI
, Potsdam, Germany, May 2014).
Talk
Baldauf, Carsten: 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, Aug 2014).
Talk
Baldauf, Carsten: Mechano-reception in the A domains regulates VWF structure and function.
(Seminar, Institute of Pharmacy, Freie Universität Berlin
, Berlin, Germany, Oct 2014).
Talk
Baldauf, Carsten: Conformational search and landscape representation for peptide foldamers.
(Dagstuhl Seminar Algorithmic Cheminformatics, Dagstuhl, Germany, Nov 2014).
2013
Talk
Baldauf, Carsten: Formation of Protein Secondary Structure Motifs.
(Bio-Soft-Matter-Seminar, AG Netz, Physik, Freie Universität, Berlin, Germany, Mar 2013).
Talk
Baldauf, Carsten: 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, Oct 2013).
2012
Talk
Baldauf, Carsten: Paradocks - Molecular Docking with Population-based Metaheuristics.
(Seminar, Institute of Organic Chemistry and Biochemistry, Prague, Czech Republic, Mar 2012).
Poster (1)
2014
Poster
Baldauf, Carsten, Franziska Schubert, Kevin Pagel, Stephan Warnke, Mariana Rossi, , , Gert von Helden and Volker Blum: Is there a Beta-Peptide Equivalent of the Alpha-Helix?
(Biophysical Society, 58th Annual Meeting, San Francisco, CA, USA, Feb 2014).
Thesis - PhD (1)
2023
Thesis - PhD
Hu, Xiaojuan: Metal Cations in Protein Force Fields: From Data Set Creation and Benchmarks to Polarizable Force Field Implementation and Adjustment.
Thesis - Habilitation (1)
2016
Thesis - Habilitation
Baldauf, Carsten: Biomolecular Simulations - From mechanics of a blood protein to peptides in isolation to molecular structure sampling.
Working Paper (1)
2018
Working Paper
and Carsten Baldauf: Relative energetics of acetyl-histidine protomers with and without Zn2+ and a benchmark of energy methods.