Computer-Chemie-Centrum

The formation of endo-complexes between calixarenes and amines - a reinvestigation (2006) Puchta R, Clark T, Bauer W Journal article Molecular dynamics simulations of the tetracycline-repressor protein: The mechanism of induction (2006) Lanig H, Othersen O, Beierlein F, Seidel U, Clark T Journal article Structural changes and binding characteristics of the tetracycline-repressor binding site on induction (2006) Lanig H, Othersen O, Seidel U, Beierlein F, Exner T, Clark T Journal article Simulating FRET from tryptophan: Is the rotamer model correct? (2006) Beierlein F, Othersen O, Lanig H, Schneider S, Clark T Journal article Dispersion treatment for NDDO-based semiempirical MO techniques (2006) Martin B, Clark T Journal article Thermodynamic and kinetic studies on reactions of Pt(II) complexes with biologically relevant nucleophiles (2006) Schiessl W, Summa N, Puchta R, van Eikema Hommes N, van Eldik R Journal article In silico prediction of buffer solubility based on quantum-mechanical and HQSAR- and topology-based descriptors (2006) Göller AH, Hennemann M, Keldenich J, Clark T Journal article A rhenium-cyclohexane complex with preferential binding of axial C-H bonds: A probe into the relative ability of C-H, C-D, and C-C bonds as hyperconjugative electron donors? (2006) Clark T Journal article o-iodoxybenzoic acid (IBX): pK(a) and proton-affinity analysis (2006) Clark T Journal article Rational design of cation hosts - Prediction of cation selectivity by quantum chemical calculations (2006) Galle M, Puchta R, van Eikema Hommes N, van Eldik R Journal article