Computer-Chemie-Centrum (CCC)

Molecular mechanisms of biased and probe-dependent signaling at CXC-motif chemokine receptor CXCR3 induced by negative allosteric modulators (2018) Brox R, Milanos L, Saleh N, Baumeister P, Buschauer A, Hofmann D, Heinrich M, et al. Journal article, Original article The sigma-hole revisited (2017) Politzer P, Murray JS, Clark T, Resnati G Journal article Mediating Reductive Charge Shift Reactions in Electron Transport Chains (2017) Wolf M, Villegas C, Trukhina O, Delgado JL, Torres T, Martin N, Clark T, Guldi DM Journal article Charge Transport in Organic Materials: Norm-Conserving Imaginary Time Propagation with Local Ionization Energy as the External Potential (2017) Kriebel M, Sharapa D, Clark T Journal article Simulation of charge transport in organic semiconductors: A time-dependent multiscale method based on nonequilibrium Green's functions (2017) Leitherer S, Jager CM, Krause A, Halik M, Clark T, Thoss M Journal article Odd-Electron Bonds (2017) Clark T Journal article Polarization, donor-acceptor interactions, and covalent contributions in weak interactions: a clarification (2017) Clark T Journal article Halogen bonds and sigma-holes (2017) Clark T Journal article The hpCADD NDDO Hamiltonian: Parametrization (2017) Thomas HB, Hennemann M, Kibies P, Hoffgaard F, Guessregen S, Hessler G, Kast SM, Clark T Journal article Differences between G-Protein-Stabilized Agonist-GPCR Complexes and their Nanobody-Stabilized Equivalents (2017) Saleh N, Ibrahim P, Clark T Journal article