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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Haensele, E., Mele, N., Miljak, M., Read, C.M., Whitley, D.C., Banting, L.,... Clark, T. (2017). Conformation and Dynamics of Human Urotensin II and Urotensin Related Peptide in Aqueous Solution. Journal of Chemical Information and Modeling, 57(2), 298-310. https://dx.doi.org/10.1021/acs.jcim.6b00706
Saleh, N., Ibrahim, P., & Clark, T. (2017). Differences between G-Protein-Stabilized Agonist-GPCR Complexes and their Nanobody-Stabilized Equivalents. Angewandte Chemie-International Edition, 56(31), 9008-9012. https://dx.doi.org/10.1002/anie.201702468
Medina, D.D., Petrus, M.L., Jumabekov, A.N., Margraf, J., Weinberger, S., Rotter, J.M.,... Bein, T. (2017). Directional Charge-Carrier Transport in Oriented Benzodithiophene Covalent Organic Framework Thin Films. Acs Nano, 11(3), 2706-2713. https://dx.doi.org/10.1021/acsnano.6b07692
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
Clark, T. (2017). G-Protein coupled receptors: answers from simulations. Beilstein Journal of Organic Chemistry, 13, 1071-1078. https://dx.doi.org/10.3762/bjoc.13.106
Clark, T. (2017). Halogen bonds and sigma-holes. Faraday Discussions, 203, 9-27. https://dx.doi.org/10.1039/c7fd00058h
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
Saleh, N., Saladino, G., Gervasio, F.L., & Clark, T. (2017). Investigating allosteric effects on the functional dynamics of beta 2-adrenergic ternary complexes with enhanced-sampling simulations. Chemical Science, 8(5), 4019-4026. https://dx.doi.org/10.1039/c6sc04647a

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