Computer-Chemie-Centrum (CCC)

Molecular dynamics simulations of the effect of the G-protein and diffusible ligands on the β2-adrenergic receptor (2011) Goetz A, Lanig H, Gmeiner P, Clark T Journal article, Original article Conformation-Dependent QSPR Models: logP(OW) (2011) Mühlbacher M, El Kerdawy A, Kramer C, Hudson B, Clark T Journal article Silicon Lewis Acid Catalyzed [3+2] Cycloaddition Reactions of Hydrazones/Cyclopentadiene: Mild Access to Pyrazolidine Derivatives (2011) Zamfir A, Schenker S, Bauer W, Clark T, Tsogoeva S Journal article Understanding the Reactivity of Acyl Anion Equivalents: The Epoxide Ring Opening Case (2011) Eger WA, Grange RL, Schill H, Goumont R, Clark T, Williams CM Journal article Using Spherical Harmonic Surface Property Representations for Ligand-Based Virtual Screening (2011) Perez-Nueno VI, Venkatraman V, Mavridis L, Clark T, Ritchie DW Journal article Ligand exchange processes on solvated beryllium cations v. Water exchange on [Be(X)(H2O)3]+ (X: H-,F -, Cl-, Br-, OH-, CN-, NCNCN-) (2011) Walther M, Puchta R, van Eldik R Journal article Ligand exchange processes on solvated beryllium cations, VI. Hydrogen chalcogenide exchange on [Be(Chelate)Sol2]2+ (Chelate: CH3-O-C2H4-O-CH3, CH 3-S-C2H4-S-CH3, CH 3-Se-C2H4-Se-CH3; Sol: H 2O, H2S, H2Se) (2011) Walther M, Dücker-Benfer C, Puchta R Journal article [2,2]Paracyclophane-Based π-Conjugated Molecular Wires Reveal Molecular-Junction Behavior (2011) Molina-Ontoria A, Wielopolski M, Gebhardt J, Gouloumis A, Clark T, Guldi DM, Martin N Journal article On the molecular mechanisms of the acid-induced dissociation of hydroxy-apatite in water (2011) Hochrein O, Zahn D Journal article Predicting the Effects of Basepair Mutations in DNA-Protein Complexes by Thermodynamic Integration (2011) Beierlein F, Kneale GG, Clark T Journal article