Theoretical Chemistry Group - Faculty for Chemistry and Pharmacy
WATOC 2017
Researcher ID
Google Scholar

Johannes Dietschreit

Dr. Johannes Dietschreit
Room: B5.013
Phone: +49 89 2180-72402
E-Mail: johannes.dietschreit[at]cup.uni-muenchen.de

Curriculum Vitae

12/2016 - 11/2020 PhD Student at the LMU in the group of Christian Ochsenfeld

4/2014 - 9/2016

Masters in Chemistry at the Free University Berlin

1 Semester spent at UBC in Vacouver
Master Thesis in the group of Bettina Keller "Dynamical Fingerprint of NMR Relaxation Data"
10/2010 - 3/2014 Bachelor in Biochemistry at the Free University Berlin

Publications
10. Glas, C.; Dietschreit, J. C. B.; Wössner, N.; Urban, L.; Ghazy, E.; Sippl, W.; Jung, M.; Ochsenfeld, C.; Bracher, F. Identification of the subtype-selective Sirt5 inhibitor balsalazide through systematic SAR analysis and rationalization via theoretical investigations. Eur. J. Med. Chem. 2020, 206, 112676, 10.1016/j.ejmech.2020.112676
9. Dietschreit, J. C. B.; Wagner, A.; Le, T. A.; Klein, P.; Schindelin, H.; Opatz, T.; Engels, B.; Hellmich, U. A.; Ochsenfeld, C. Predicting 19F NMR Chemical Shifts: A Combined Computational and Experimental Study of a Trypanosomal Oxidoreductase–Inhibitor Complex. Angew. Chem. - Int. Ed. 2020, 59(31), 12669-12673, 10.1002/anie.202000539
8. Vogler, S.; Dietschreit; J. C. B.; Peters, L. D. M.; Ochsenfeld, C.Important components for accurate hyperfine coupling constants: electron correlation, dynamic contributions, and solvation effects. Mol. Phys. 2020, e1772515, 10.1080/00268976.2020.1772515
7. Egli, J.; Schnitzer, T.; Dietschreit, J. C. B.; Ochsenfeld, C.; Wennemers, H. Why Proline? Influence of Ring-Size on the Collagen Triple Helix. Org. Lett. 2020, 22(2), 348–351, 10.1021/acs.orglett.9b03528
6. von der Esch, B.; Dietschreit, J. C. B.; Peters, L. D. M.; Ochsenfeld, C. Finding Reactive Configurations: A Machine Learning Approach for Estimating Energy Barriers Applied to Sirtuin 5. J. Chem. Theory Comput. 2019, 15(12), 6660-6667,10.1021/acs.jctc.9b00876
5. Peters, L. D. M.; Dietschreit, J. C. B.; Kussmann, J.; Ochensenfeld, C. Calculating Free Energies from the Vibrational Density of States Function: Validation and Critical Assessment. J. Chem. Phys. 2019, 150(19), 194111-11, 10.1063/1.5079643
4. Naydenova, E.; Dietschreit, J. C. B.; Ochsenfeld, C. Reaction Mechanism for the N-Glycosidic Bond Cleavage of 5-Formylcytosine by Thymine DNA Glycosylase. J. Phys. Chem. B 2019, 123(19), 4173-4179, 10.1021/acs.jpcb.8b11706
3. Dietschreit, J. C. B.; Peters, L. D. M.; Kussmann, J.; Ochensenfeld, C. Identifying Free Energy Hot-Spots in Molecular Transformations J. Phys. Chem. A 2019, 123(10), 2163-2170, 10.1021/acs.jpca.8b12309
2. Dietschreit, J. C. B.; Diestler, D. J.; Knapp, E.-W. Chemically Realistic Tetrahedral Lattice Models for Polymer Chains: Application to Polyethylene Oxide. JCTC 2016, 12(5), 2388-2400, 10.1021/acs.jctc.6b00144
1. Dietschreit, J. C. B.; Diestler, D. J.; Knapp, E.-W. Models for Self-Avoiding Polymer Chains on the Tetrahedral Lattice. Macromol. Theory Simul. 2014, 23(7), 452-463, 10.1002/mats.201400023