Computer-Chemie-Centrum

The local electron affinity for non-minimal basis sets (2010) Clark T Journal article An improved generalized AMBER force field (GAFF) for urea (2010) Özpinar G, Peukert W, Clark T Journal article The morphology of integrated self-assembled monolayers and their impact on devices – A computational and experimental approach (2010) Novak M, Jäger C, Rumpel A, Kropp H, Peukert W, Clark T, Halik M Journal article, Report Induction of the tetracycline repressor: Characterization by molecular-dynamics simulations (2009) Haberl F, Lanig H, Clark T Journal article A Consistent Dataset of Kinetic Solubilities for Early-Phase Drug Discovery (2009) Kramer C, Heinisch T, Fligge T, Beck B, Clark T Journal article Electronic properties and intermolecular binding in drug-like molecules (2009) Clark T Journal article The Effect of Perfluorination on the Aromaticity of Benzene and Heterocyclic Six-Membered Rings (2009) Wu JI, Pühlhofer FG, Schleyer P, Puchta R, Kiran B, Mauksch M, van Eikema Hommes N, et al. Journal article Analysis of diatomic bond dissociation and formation in terms of the reaction force and the position-dependent reaction force constant (2009) Murray JS, Toro-Labbe A, Clark T, Politzer P Journal article Homology Model Adjustment and Ligand Screening with a Pseudoreceptor of the Human Histamine H-4 Receptor (2009) Tanrikulu Y, Proschak E, Werner T, Geppert T, Todoroff N, Klenner A, Kottke T, et al. Journal article CypScore: Quantitative Prediction of Reactivity toward Cytochrornes P450 Based on Semiempirical Molecular Orbital Theory (2009) Hennemann M, Friedl A, Lobell M, Keldenich J, Hillisch A, Clark T, Göller AH Journal article