Publications of Carsten Baldauf
All genres
Journal Article (44)
2013
Journal Article
Baldauf, Carsten, Kevin Pagel, Stephan Warnke, Gert von Helden, , Volker Blum and Matthias Scheffler: How Cations Change Peptide Structure.
2012
Journal Article
Baldauf, Carsten and : Ab initio MO Theory – An Important Tool in Foldamer Research: Prediction of Helices in Oligomers of omega-Amino Acids.
Journal Article
, , and Carsten Baldauf: On the Cis to Trans Isomerization of Prolyl−Peptide Bonds under Tension.
2011
Journal Article
, Carsten Baldauf, , and : A systematic study of fundamentals in alpha-helical coiled coil mimicry by alternating sequences of beta- and gamma-amino acids.
Conference Paper (1)
2014
Conference Paper
Baldauf, Carsten, Matti Ropo, Volker Blum and Matthias Scheffler: How mono-valent cations bend peptide turns and a first-principles database of amino acids and dipeptides.
(International Conference of Computational Methods in Sciences and Engineering 2014: (ICCMSE 2014), Athens, Greece, Apr 2014).
Talk (31)
2019
Talk
Baldauf, Carsten: Bioorganic Molecules – From the Gas Phase to the Interface.
(Seminar, Fakultät für Chemie und Mineralogie, Universität Leipzig, Leipzig, Germany, Jun 2019).
Talk
Baldauf, Carsten: Biomolecules in Isolation and FAIR Research Data Infrastructure.
(Seminar, Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT), Karlsruhe, Germany, May 2019).
Talk
Baldauf, Carsten: Biomolecules – From the Gas Phase to the Interface.
(Seminar, Max Planck Institute for Solid State Research, Stuttgart, Germany, May 2019).
2018
Talk
Baldauf, Carsten: Cation-Peptide Interactions from First Principles.
(101st Canadian Chemistry Conference and Exhibition, Symposium: Assessing Complex Free Energy Surfaces from Molecular Simulations from Electronic Structure to Mesoscopic Processes, Edmonton, AB, Canada, May 2018).
Talk
Baldauf, Carsten: Biomolecules in Thin Air.
(Institutskolloquium, Leibniz Institute of Surface Engineering (IOM), Leipzig, Germany, Dec 2018).
Talk
Baldauf, Carsten: Biomolecular Structure Search.
(Seminar, State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun, China, Jul 2018).
Talk
Baldauf, Carsten: Biomolecules in Thin Air.
(Seminar, Centre For Molecular Simulation, The University of Calgary, Calgary, AB, Canada, May 2018).
Talk
Baldauf, Carsten: Biomolecules in Thin Air.
(Seminar, Institute of Organic Chemistry and Biochemistry of the CAS, Czech Academy of Sciences, Prague, Czech Republic, Jan 2018).
Talk
Baldauf, Carsten: Biomolecules in Thin Air.
(Seminar, Cluster of Excellence RESOLV, Fakultät für Chemie und Biochemie, Ruhr-Universität Bochum, Bochum, Germany, Jan 2018).
Talk
Baldauf, Carsten and : Enhanced Sampling Methods.
(Hands-On DFT and Beyond: Frontiers of Advanced Electronic Structure and Molecular Dynamics Methods, Beijing, China, Jul 2018).
2017
Talk
Baldauf, Carsten: First-Principles Based Simulations of Carbohydrates and Chemical Reactions.
(Seminar, Institute of Biomedical Sciences, Academia Sinica, Taipeh, Taiwan, May 2017).
Talk
Baldauf, Carsten: Biomolecules in Thin Air – First-Principles Studies of Peptides and Cation-Peptide Interactions in the Gas Phase.
(The 22nd Biophysics Conference, Kaohsiung, Taiwan, May 2017).
Talk
Baldauf, Carsten: Sampling and Searching the Conformational Space of Molecules.
(Hands-on Workshop Density-Functional Theory and Beyond: Accuracy, Efficiency and Reproducibility in Computational Materials Science, Berlin, Germany, Jul 2017).
Talk
Baldauf, Carsten: Prediction of Biomolecular Structure and Dynamics.
(Seminar, Fachbereich V, Beuth Hochschule für Technik Berlin, Berlin, Germany, Oct 2017).
Talk
Baldauf, Carsten: Biomolecules in Thin Air.
(Seminar, Heidelberg Institute for Theoretical Studies, Heidelberg, Germany, Sep 2017).