apl. Prof. Dr. Timothy Clark

Project lead

Large Scale Simulations on Carbon Allotropes (C01)
Third Party Funds Group - Sub project

Theoretical Studies on Electron-Transfer Catalysis (C 01)
Third Party Funds Group - Sub project
(01/07/2001 - 01/06/2012)

Publications (Download BibTeX)
1 of 22

Journal article
Hübner H, Schellhorn T, Gienger MT, et al. (2016)
Structure-guided development of heterodimer-selective GPCR ligands
Nature Communications

Journal article
Ascherl L, Sick T, Margraf J, et al. (2016)
Molecular docking sites designed for the generation of highly crystalline covalent organic frameworks
Nature Chemistry

Journal article
Czerniecka A, Bielinska-Waz D, Waz P, et al. (2016)
20D-dynamic representation of protein sequences

Journal article
Hofmann J, Clark T, Heinrich M (2016)
Strongly Directing Substituents in the Radical Arylation of Substituted Benzenes
Journal of Organic Chemistry

Journal article
Beierlein F, Paradas Palomo M, Sharapa D, et al. (2016)
DNA-Dye-Conjugates: Conformations and Spectra of Fluorescence Probes
Plos One

Journal article
Politzer P, Murray JS, Clark T (2015)
Mathematical modeling and physical reality in noncovalent interactions
Journal of Molecular Modeling

Journal article
Lanig H, Reisen F, Whitley D, et al. (2015)
In Silico Adoption of an Orphan Nuclear Receptor NR4A1

Journal article
Beierlein F, Clark T, Braunschweig B, et al. (2015)
Carboxylate Ion Pairing with Alkali-Metal Ions for β-Lactoglobulin and Its Role on Aggregation and Interfacial Adsorption.
Journal of Physical Chemistry B

Journal article
Margraf J, Hennemann M, Meyer B, et al. (2015)
EMPIRE: a highly parallel semiempirical molecular orbital program: 2: periodic boundary conditions
Journal of Molecular Modeling

Journal article
Sharapa D, Hirsch A, Meyer B, et al. (2015)
Cubic C-8: An Observable Allotrope of Carbon?

Journal article
Molt RW, Lecher AM, Clark T, et al. (2015)
Facile C-sp(2)-C-sp(2) Bond Cleavage in Oxalic Acid-Derived Radicals
Journal of the American Chemical Society

Journal article
Kirner S, Arteaga D, Henkel C, et al. (2015)
On-off switch of charge-separated states of pyridine-vinylene-linked porphyrin-C-60 conjugates detected by EPR
Chemical Science

Journal article
Bauer T, Jäger C, Jordan MJT, et al. (2015)
A multi-agent quantum Monte Carlo model for charge transport: Application to organic field-effect transistors
Journal of Chemical Physics

Journal article
Duchstein P, Clark T, Zahn D (2015)
Atomistic modeling of a KRT35/KRT85 keratin dimer: folding in aqueous solution and unfolding under tensile load
Physical Chemistry Chemical Physics

Journal article
Strauß V, Margraf J, Clark T, et al. (2015)
A carbon-carbon hybrid - immobilizing carbon nanodots onto carbon nanotubes
Chemical Science

Journal article
Tucher J, Peuntinger K, Margraf J, et al. (2015)
Template-Dependent Photochemical Reactivity of Molecular Metal Oxides
Chemistry-A European Journal

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