AMBER force-field parameters for phosphorylated amino acids in different protonation states: phosphoserine, phosphothreonine, phosphotyrosine, and phosphohistidine. (2006) Homeyer N, Horn A, Lanig H, Sticht H Journal article, Original article AM1*parameters for phosphorus, sulfur and chlorine (2003) Winget P, Horn A, Martin B, Clark T Journal article Local molecular properties and their use in predicting reactivity (2003) Ehresmann B, Martin B, Horn A, Clark T Journal article Editorial 2003 (2003) Clark T Journal article A QSPR-approach to the estimation of the pK(HB) of six-membered nitrogen-heterocycles using quantum mechanically derived descriptors (2002) Hennemann M, Clark T Journal article Molecular dynamics of a Schiff base tetramacrocycle studied by NMR and MD simulations. (2000) Grohmann A, Lanig H, Bauer W, Schmidt S, Heinemann FW Journal article, Original article sigma*-aromaticity in three-membered rings (2000) Göller AH, Clark T Journal article Exploring {2}-metallacryptands and {2}-metallacryptates with quantum chemical methods - When (not only) computer chemists' dreams come true (2000) Puchta R, van Eikema Hommes N, Seitz V, Saalfrank R Journal article A semiempirical QM/MM implementation and its application to the absorption of organic molecules in zeolites (1999) Clark T, Alex A, Beck B, Gedeck P, Lanig H Journal article The important role of active site water in the catalytic mechanism of human carbonic anhydrase II - A semiempirical MO approach to the hydration of CO2 (1998) Hartmann M, Merz KM, van Eldik R, Clark T Journal article