| 39. Excitation Energy Transfer between Higher Excited States of Photosynthetic Pigments: 2. Chlorophyll b is a B Band Excitation Trap (Link) |
| J. P. Götze and H. Lokstein |
| ACS Omega 8 (43) 40015-40023 (2023) doi:10.1021/acsomega.3c05896 |
| 38. Excitation Energy Transfer between Higher Excited States of Photosynthetic Pigments: 1. Carotenoids Intercept and Remove B Band Excitations (Link) |
| J. P. Götze and H. Lokstein |
| ACS Omega 8 (43) 40005-40014 (2023) doi:10.1021/acsomega.3c05895 |
| 37. Incoherent Energy Transfer between the Baseplate and FMO Protein Explored at Ideal Geometries (Link) |
| J. P. Götze, S. Maity and U. Kleinekathöfer |
| J Phys Chem B 127 (37) 7829-7838 (2023) doi:10.1021/acs.jpcb.3c02568 |
| 36. Impact of Structure, Coupling Scheme, and State of Interest on the Energy Transfer in CP29 (Link) |
| S. Petry, J. C. Tremblay and J. P. Götze |
| J Phys Chem B 127 (33) 7207-7219 (2023) doi:10.1021/acs.jpcb.3c01012 |
| 35. A (TD-)DFT Study on Photo-NHC-Catalysis: Photoenolization/Diels-Alder Reaction of Acid Fluorides Catalyzed by N-Heterocyclic Carbenes (Link) |
| A. Mavroskoufis, M. Lohani, M. Weber, M. N. Hopkinson and J. P. Götze |
| Chem Sci 14 4027-4037 (2023) doi:10.1039/D2SC04732B |
| 34. Spectral Characterization of the Main Pigments in the Plant Photosynthetic Apparatus by Theory and Experiment (Link) |
| J. P. Götze, F. Anders, S. Petry, F. Witte and H. Lokstein |
| Chem Phys 559 (11) 111517 (2022) doi:10.1016/j.chemphys.2022.111517 |
| 33. Effect of protein matrix on CP29 spectra and energy transfer pathways (Link) |
| S. Petry and J. P. Götze |
| BBA Bioenergetics 1863 (2) 148521 (2021) doi:10.1016/j.bbabio.2021.148521 |
| 32. Aggregation-induced emission leading to two distinct emissive species in the solid-state structure of high-dipole organic chromophores (Link) |
| F. Witte, P. Rietsch, N. Nirmalananthan-Budau, F. Weigert, J. P. Götze, U. Resch-Genger, S. Eigler and Beate Paulus |
| Phys Chem Chem Phys 23 (32) 17521-17529 (2021) doi:10.1039/D1CP02534A |
| 31. Photosynthetic Light-Harvesting (Antenna) Complexes - Structures and Functions (Link) |
| H. Lokstein, G. Renger and J. P. Götze |
| Molecules 26 (11) 3378 (2021) doi:10.3390/molecules26113378 |
| 30. Fluorescence Quenching in J-Aggregates through the Formation of Unusual Metastable Dimers (Link) |
| F. Witte, P. Rietsch, S. Sinha, A. Krappe, J.-O. Joswig, J. P. Götze, N. Nirmalananthan-Budau, U. Resch-Genger, S. Eigler and B. Paulus |
| J Phys Chem B 125 (17) 4438-4446 (2021) doi:10.1021/acs.jpcb.1c01600 |
| 29. Lack of Excitation Energy Transfer from the Bacteriochlorophyll Soret Band to Carotenoids in Photosynthetic Complexes of Purple Bacteria (Link) |
| A. Razjivin, J. P. Götze, E. Lukashev, V. Kozlovsky, A. Ashikhmin, Z. Makhneva, A. Moskalenko, H. Lokstein and V. Paschenko |
| J Phys Chem B 125 (14) 3538-3545 (2021) doi:10.1021/acs.jpcb.1c00719 |
| 28. A user-friendly, Python-based quantum mechanics/Gromacs interface: gmx2qmmm (Link) |
| J. P. Götze, Y.-W. Pi, S. Petry, F. Langkabel, J. F. Witte and O. Lemke |
| Int J Quant Chem 123 (3) e26486 (2021) doi:10.1002/qua.26486 |
| 27. Deoxygenative Tri- and Difluoromethylthiolation of Carboxylic Acids with Benzothiazolium Reagents (Link) |
| M. Tironi, L. M. Maas, A. Garg, S. Dix, J. P. Götze and M. N. Hopkinson |
| Org Lett 22 (22) 8925-8930 (2020) doi:10.1021/acs.orglett.0c03328 |
| 26. Characterization of fluorescent chlorophyll charge-transfer states as intermediates in the excited state quenching of light-harvesting complex II (Link) |
| E. E. Ostroumov, J. P. Götze, M. Reus, P. H. Lambrev and A. R. Holzwarth |
| Photosynth Res 144 (2) 171-193 (2020) doi:10.1007/s11120-020-00745-8 |
| 25. N-Heterocyclic Carbene-Catalyzed Photoenolization Diels-Alder Reaction of Acid Fluorides (Link) |
| A. Mavroskoufis, K. Rajes, P. Golz, A. Agrawal, V. Russ, J. P. Götze and M. N. Hopkinson |
| Angew Chem Int Ed 59 (8) 3190-3194 (2019) doi:10.1002/anie.201914456 |
| 24. On the Stability of the Water-Soluble Chlorophyll-Binding Protein (WSCP) Studied by Molecular Dynamics Simulations (Link) |
| O. Lemke and J. P. Götze |
| J Phys Chem B 123 (50) 10594-10604 (2019) doi:10.1021/acs.jpcb.9b07915 |
| 23. Calculating the frequencies and intensities of strongly anharmonic modes of adsorbates on surfaces: A low-cost but accurate computational approach (Link) |
| J. A. Garrido Torres, J. P. Götze, F. Grillo, N. V. Richardson, H. A. Früchtl, C. Hooley and R. Schaub |
| Phys Rev B 100 (3) 035443 (2019) doi:10.1103/PhysRevB.100.035433 |
| 22. Vibrational Relaxation in Carotenoids as an Explanation for Their Rapid Optical Properties (Link) |
| J. P. Götze |
| J Phys Chem B 123 (10) 2203-2209 (2019) doi:10.1021/acs.jpcb.8b09841 |
| 21. Acetyl Coenzyme A Analogues as Rationally Designed Inhibitors of Citrate Synthase (Link) |
| D. Bello, M. G. Rubanu, N. Bandaranayaka, J. P. Götze, M. Bühl and D. O'Hagan |
| ChemBioChem Early access (2019) doi:10.1002/cbic.201800700 |
| 20. Artificial Metalloenzymes as Catalysts for Oxidative Lignin Degradation (Link) |
| M. V. Doble, A. G. Jarvis, A. C. C. Ward, J. D. Colburn, J. P. Götze, M. Bühl and P. C. J. Kamer |
| ACS Sustain Chem Eng 6 (11) 15100-15107 (2018) doi:10.1021/acssuschemeng.8b03568 |
| 19. Dynamics of Azobenzene Dimer Photoisomerization: Electronic and Steric Effects (Link) |
| E. Titov, G. Granucci, J. P. Götze, M. Persico and P. Saalfrank |
| J Phys Chem Lett 7 (18) 3591-3596 (2016) doi:10.1021/acs.jpclett.6b01401 |
| 18. Laccase Redox Potentials: pH Dependence and Mutants - a QM/MM Study (Link) |
| J. P. Götze and M. Bühl |
| J Phys Chem B 120 (35) 9265-9276 (2016) doi:10.1021/acs.jpcb.6b04978 |
| 17. Two-dimensional self-assembly of benzotriazole on an inert substrate (Link) |
| F. Grillo, J. A. Garrido Torres, M.-J. Treanor, C. Larrea, J. P. Götze, P. Lacovig, H. A. Früchtl, R. Schaub and N. V. Richardson |
| Nanoscale 8 (17) 9167-9177 (2016) doi:10.1039/C6NR00821F |
| 16. Insights into structure and redox potential of lignin peroxidase from QM/MM calculations (Link) |
| L. Castro, L. Crawford, A. Mutengwa, J. P. Götze and M. Bühl |
| Org Biomol Chem 14 2385-2389 (2016) doi:10.1039/C6OB00037A |
| 15. Vibrational relaxation as the driving force for wavelength conversion in the peridinin-chlorophyll a-protein (Link) |
| J. P. Götze, B. Karasulu, M. Patil and W. Thiel |
| BBA Bioenergetics 1847 (12) 1509-1517 (2015) doi:10.1016/j.bbabio.2015.07.011 |
| 14. A proposal for a dipole-generated BLUF domain mechanism (Link) |
| T. Mathes and J. P. Götze |
| Front. Mol. Biosci. (3. November 2015) doi:10.3389/fmolb.2015.00062 |
| 13. Assessment of Franck-Condon Methods for Computing Vibrationally Broadened UV-vis Absorption Spectra of Flavin Derivatives: Riboflavin, Roseoflavin, and 5-Thioflavin (Link) |
| B. Karasulu, J. P. Götze and W. Thiel |
| J Chem Theory Comput 10 (12) 5549-5566 (2014) doi:10.1021/ct500830a |
| 12. Quantification of Stable Isotope Label in Metabolites via Mass Spectrometry (Link) |
| J. Hüge, J. P. Götze, F. Dethloff, B. Junker and J. Kopka |
| Plant Chemical Genomics in Methods in Molecular Biology (Clifton, N. J., 2014) doi:10.1007/978-1-62703-592-7_20 |
| 11. Carotenoids as a Shortcut for Chlorophyll Soret-to-Q Band Energy Flow (Link) |
| J. P. Götze, D. Kröner, S. Banerjee, B. Karasulu and W. Thiel |
| ChemPhysChem 15 (15) 3392-3400 (2014) doi:10.1002/cphc.201402233 |
| 10. Computing UV/vis spectra from the adiabatic and vertical Franck-Condon schemes with the use of Cartesian and internal coordinates (Link) |
| J. P. Götze, B. Karasulu and W. Thiel |
| J Chem Phys 139 234108 (2013) doi:10.1063/1.4844055 |
| 9. TD-DFT and DFT/MRCI study of electronic excitations in Violaxanthin and Zeaxanthin (Link) |
| J. P. Götze and W. Thiel |
| Chem Phys 415 247-255 (2013) doi:10.1016/j.chemphys.2013.01.030 |
| 8. BLUF Hydrogen network dynamics and UV/Vis spectra: a combined molecular dynamics and quantum chemical study (Link) |
| J. P. Götze, C. Greco, R. Mitrić, V. Bonačić-Koutecký and P. Saalfrank |
| J Comp Chem 33 (28) 2233-2242 (2012) doi:10.1002/jcc.23056 |
| 7. The Central Role of Gln63 for the Hydrogen Bonding Network and UV�Visible Spectrum of the AppA BLUF Domain (Link) |
| Y.-W. Hsiao, J. P. Götze and W. Thiel |
| J Phys Chem B 116 (28) 8064-8073 (2012) doi:10.1021/jp3028758 |
| 6. Quantum chemical modeling of the kinetic isotope effect of the carboxylation step in RuBisCO (Link) |
| J. P. Götze and P. Saalfrank |
| J Mol Model 18 (5) 1877-1883 (2012) doi:10.1007/s00894-011-1207-0 |
| 5. Modeling of a violaxanthin/chlorophyll b chromophore pair in its LHCII environment using CAM-B3LYP (Link) |
| D. Kröner and J. P. Götze |
| J Photochem Photobiol B 109 12-19 (2012) doi:10.1016/j.jphotobiol.2011.12.007 |
| 4. Modulation of the Major Paths of Carbon in Photorespiratory Mutants of Synechocystis (Link) |
| J. Hüge, J. P. Götze, D. Schwarz, H. Bauwe, M. Hagemann and J. Kopka |
| PLoS ONE 6 (1): e16278. (2011) doi:10.1371/journal.pone.0016278 |
| T. Influence of Protein and Solvent Environments on Quantum Chemical Properties of Photosynthesis Enzymes and Photoreceptors (Link) |
| J. P. Götze |
| Ph.D. thesis (2010) |
| 3. Slow deactivation of ribulose 1,5-bisphosphate carboxylase/oxygenase elucidated by mathematical models (Link) |
| F. Witzel, J. P. Götze and O. Ebenhöh |
| FEBS J 277 (2) 931-950 (2010) doi:10.1111/j.1742-4658.2009.07541.x |
| 2. Serine in BLUF domains displays spectral importance in computational models (Link) |
| J. P. Götze and P. Saalfrank |
| J Photochem Photobiol B 94 (2) 87-95 (2009) doi:10.1016/j.jphotobiol.2008.10.003 |
| D. Modellierung des Isotopeneffektes bei der Carboxylierungsreaktion von RuBisCO (Modelling of the isotope effect in the carboxylation step of RuBisCO) |
| J. P. Götze |
| Diploma thesis (2006) |
| 1. Function of human mineralocorticoid receptor splice variant (Link) |
| V. Bähr, C. Bumke-Vogt, J. P. Götze, A. F. Pfeiffer and S. Diederich |
| Eur J Endocrinol 151 (2) 295 (2004) doi:10.1530/eje.0.1510295 |