apl. Prof. Dr. Timothy Clark



Organisation


Computer-Chemie-Centrum
Naturwissenschaftliche Fakultät



Project lead


(SFB 953: Synthetic Carbon Allotropes):
SFB 953: Large Scale Simulations on Carbon Allotropes (C01)
apl. Prof. Dr. Timothy Clark; Prof. Dr. Bernd Meyer
(01/01/2012)

(SPP 1179: Organokatalyse):
Chiral mono- and bifunctional organic catalysts: A joint experimental-theoretical approach to asymmetric organic synthesis (SPP 1179)
apl. Prof. Dr. Timothy Clark
(01/11/2006 - 01/06/2012)

(SFB 583: Redoxaktive Metallkomplexe - Reaktivitätssteuerung durch molekulare Architekturen):
Theoretical Studies on Electron-Transfer Catalysis (C 01)
apl. Prof. Dr. Timothy Clark
(01/07/2001 - 01/06/2012)


Publications (Download BibTeX)

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Schmaltz, T., Gothe, B., Krause, A., Leitherer, S., Steinrück, H.-G., Thoss, M.,... Halik, M. (2017). Effect of Structure and Disorder on the Charge Transport in Defined Self-Assembled Monolayers of Organic Semiconductors. Acs Nano. https://dx.doi.org/10.1021/acsnano.7b02394
Holzwarth, J., Amsharov, K., Sharapa, D., Reger, D., Roshchyna, K., Lungerich, D.,... Hirsch, A. (2017). Highly Regioselective Alkylation of Hexabenzocoronenes: Fundamental Insights into the Covalent Chemistry of Graphene. Angewandte Chemie, 129(40), 12352-12358. https://dx.doi.org/10.1002/ange.20170643
Holzwarth, J., Amsharov, K., Sharapa, D., Reger, D., Roshchyna, K., Lungerich, D.,... Hirsch, A. (2017). Highly Regioselective Alkylation of Hexabenzocoronenes: Fundamental Insights into the Covalent Chemistry of Graphene. Angewandte Chemie-International Edition, 56(40), 12184-12190. https://dx.doi.org/10.1002/anie.201706437
Sommer, T., Hübner, H., El Kerdawy, A., Gmeiner, P., Pischetsrieder, M., & Clark, T. (2017). Identification of the Beer Component Hordenine as Food-Derived Dopamine D2 Receptor Agonist by Virtual Screening a 3D Compound Database. Scientific Reports, 7, 44201. https://dx.doi.org/10.1038/srep44201
Czerniecka, A., Bielinska-Waz, D., Waz, P., & Clark, T. (2016). 20D-dynamic representation of protein sequences. Genomics, 107(1), 16-23. https://dx.doi.org/10.1016/j.ygeno.2015.12.003
Kling, R., Clark, T., & Gmeiner, P. (2016). Comparative MD Simulations Indicate a Dual Role for Arg132(3.50) in Dopamine-Dependent D2R Activation. PLoS ONE, 11(1). https://dx.doi.org/10.1371/journal.pone.0146612
Beierlein, F., Paradas Palomo, M., Sharapa, D., Zozulia, O., Mokhir, A., & Clark, T. (2016). DNA-Dye-Conjugates: Conformations and Spectra of Fluorescence Probes. Plos One, 11(7), e0160229. https://dx.doi.org/10.1371/journal.pone.0160229
Ascherl, L., Sick, T., Margraf, J., Lapidus, S.H., Calik, M., Hettstedt, C.,... Bein, T. (2016). Molecular docking sites designed for the generation of highly crystalline covalent organic frameworks. Nature Chemistry, 8(4), 310-316. https://dx.doi.org/10.1038/NCHEM.2444
Maia de Pádua, R., Meitinger, N., Hennemann, M., Schebitz, P., Waibel, R., Löber, S.,... Kreis, W. (2016). Spontaneous butenolide ring formation of pregnane-21-O-malonyl hemiesters under mild reaction conditions is facilitated by the 14β-hydroxy group present in all natural cardenolides. Tetrahedron, 72, 4556-4563. https://dx.doi.org/10.1016/j.tet.2016.06.024
Hofmann, J., Clark, T., & Heinrich, M. (2016). Strongly Directing Substituents in the Radical Arylation of Substituted Benzenes. Journal of Organic Chemistry, 81(20), 9785-9791. https://dx.doi.org/10.1021/acs.joc.6b01840

Last updated on 2016-05-05 at 05:03