Computer-Chemie-Centrum (CCC)

Scoring Ligand Efficiency: Potency, Ligand Efficiency and Product Ligand Efficiency within Big Data Landscape (2019) Polanski J, Pedrys A, Duszkiewicz R, Gasteiger J Journal article Size-Dependent Local Ordering in Melanin Aggregates and Its Implication on Optical Properties (2019) Träg J, Duchstein P, Hennemann M, Clark T, Guldi DM, Zahn D Journal article Red light-triggered nucleic acid-templated reaction based on cyclic oligonucleotide substrates (2019) Zozulia O, Bachmann T, Deussner-Helfmann NS, Beierlein F, Heilemann M, Mokhir A Journal article Switching on and off Interlayer Correlations and Porosity in 2D Covalent Organic Frameworks (2019) Sick T, Rotter JM, Reuter S, Kandambeth S, Bach NN, Döblinger M, Merz J, et al. Journal article A Self-Assembled Unit Comprising 12 Squaraine Dyes Built Up from Two Star-Shaped Hexasquarainyl-Benzene Molecules (2019) Schreck MH, Röhr MI, Clark T, Stepanenko V, Würthner F, Lambert C Journal article, Original article A Feynman dispersion correction: a proof of principle for MNDO (2018) Kriebel M, Weber K, Clark T Journal article A perspective on quantum mechanics and chemical concepts in describing noncovalent interactions. (2018) Clark T, Murray JS, Politzer P Journal article Enforcing Extended Porphyrin J-Aggregate Stacking in Covalent Organic Frameworks. (2018) Keller N, Calik M, Sharapa D, Soni H, Zehetmaier PM, Rager S, Auras F, et al. Journal article The sigma-Hole Coulombic Interpretation of Trihalide Anion Formation (2018) Clark T, Murray JS, Politzer P Journal article A Fluorescent Benzo[g]isoquinoline-based HIF Prolyl Hydroxylase Inhibitor for Cellular Imaging. (2018) Mayer M, Fey K, Heinze E, Wick C, Abboud MI, Yeh TL, Tumber A, et al. Journal article