Publications of Carsten Baldauf

Nyakatura, E. K.; Araghi, R. R.; Mortier, J.; Wieczorek, S.; Baldauf, C.; Wolber, G.; Koksch, B.: An Unusual Interstrand H-Bond Stabilizes the Heteroassembly of Helical αβγ-Chimeras with Natural Peptides. ACS Chemical Biology 9 (3), pp. 613 - 616 (2014)

Baldauf, C.; Pagel, K.; Warnke, S.; Helden, G. v.; Koksch, B.; Blum, V.; Scheffler, M.: How Cations Change Peptide Structure. Chemistry-a European Journal 19 (34), pp. 11224 - 11234 (2013)

Chen, J.; Edwards, S. A.; Gräter, F.; Baldauf, C.: On the Cis to Trans Isomerization of Prolyl−Peptide Bonds under Tension. The Journal of Physical Chemistry B 116 (31), pp. 9346 - 9351 (2012)

Baldauf, C.; Hofmann, H.-J.: Ab initio MO Theory – An Important Tool in Foldamer Research: Prediction of Helices in Oligomers of omega-Amino Acids. Helvetica Chimica Acta 95 (12), pp. 2348 - 2383 (2012)

Araghi, R. R.; Baldauf, C.; Gerling, U. I.M.; Cadicamo, C. D.; Koksch, B.: A systematic study of fundamentals in alpha-helical coiled coil mimicry by alternating sequences of beta- and gamma-amino acids. Amino Acids 41 (3), pp. 733 - 742 (2011)

Baldauf, C.; Ropo, M.; Blum, V.; Scheffler, M.: How mono-valent cations bend peptide turns and a first-principles database of amino acids and dipeptides. In: Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2014: (ICCMSE 2014), pp. 119 - 120 (Eds. Simos, T. E.; Kalogiratou, Z.; Monovasilis, T.). International Conference of Computational Methods in Sciences and Engineering 2014: (ICCMSE 2014), Athens, Greece, April 04, 2014 - April 07, 2014. AIP Publishing, Melville, NY (2014)

Baldauf, C.: Bioorganic Molecules – From the Gas Phase to the Interface. Seminar, Fakultät für Chemie und Mineralogie, Universität Leipzig, Leipzig, Germany (2019)

Baldauf, C.: Biomolecules in Isolation and FAIR Research Data Infrastructure. Seminar, Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT), Karlsruhe, Germany (2019)

Baldauf, C.: Biomolecules – From the Gas Phase to the Interface. Seminar, Max Planck Institute for Solid State Research, Stuttgart, Germany (2019)

Baldauf, C.: Biomolecules in Thin Air. Institutskolloquium, Leibniz Institute of Surface Engineering (IOM), Leipzig, Germany (2018)

Baldauf, C.: Biomolecular Structure Search. Seminar, State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun, China (2018)

Baldauf, C.; Gao, Y.: Enhanced Sampling Methods. Hands-On DFT and Beyond: Frontiers of Advanced Electronic Structure and Molecular Dynamics Methods, Beijing, China (2018)

Baldauf, C.: 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 (2018)

Baldauf, C.: Biomolecules in Thin Air. Seminar, Centre For Molecular Simulation, The University of Calgary, Calgary, AB, Canada (2018)

Baldauf, C.: Biomolecules in Thin Air. Seminar, Institute of Organic Chemistry and Biochemistry of the CAS, Czech Academy of Sciences, Prague, Czech Republic (2018)

Baldauf, C.: Biomolecules in Thin Air. Seminar, Cluster of Excellence RESOLV, Fakultät für Chemie und Biochemie, Ruhr-Universität Bochum, Bochum, Germany (2018)

Baldauf, C.: Prediction of Biomolecular Structure and Dynamics. Seminar, Fachbereich V, Beuth Hochschule für Technik Berlin, Berlin, Germany (2017)

Baldauf, C.: Biomolecules in Thin Air. Seminar, Heidelberg Institute for Theoretical Studies, Heidelberg, Germany (2017)

Baldauf, C.: 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 (2017)

Baldauf, C.: First-Principles Based Simulations of Carbohydrates and Chemical Reactions. Seminar, Institute of Biomedical Sciences, Academia Sinica, Taipeh, Taiwan (2017)