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Universal Activation Index for Class A GPCRs., , and . J. Chem. Inf. Model., 59 (9): 3938-3945 (2019)Conformation and Dynamics of Human Urotensin II and Urotensin Related Peptide in Aqueous Solution., , , , , , , , , and 2 other author(s). J. Chem. Inf. Model., 57 (2): 298-310 (2017)A Self-Assembl ed Unit Comprising 12 Squaraine Dyes Built Up from TwoStar-ShapedHexasquara inyl-Benzene Molecules, , , , , and . Cemistry - A European Journal, (March 2019)Molecular orbital studies of enzyme mechanisms. II. Catalytic oxidation of alcohols by liver alcohol dehydrogenase., and . J. Comput. Chem., 14 (4): 392-400 (1993)Multicenter point charge model for high-quality molecular electrostatic potentials from AM1 calculations., and . J. Comput. Chem., 14 (5): 503-509 (1993)Electronic publishing and the Web., and . WebNet, AACE, (1996)QM/NN QSPR Models with Error Estimation: Vapor Pressure and LogP., , and . Journal of Chemical Information and Computer Sciences, 40 (4): 1046-1051 (2000)An Efficient Metadynamics-Based Protocol To Model the Binding Affinity and the Transition State Ensemble of G-Protein-Coupled Receptor Ligands., , , , and . Journal of Chemical Information and Modeling, 57 (5): 1210-1217 (2017)Empirical force field and ab initio calculations on allyl cations., , and . J. Comput. Chem., 18 (4): 533-551 (1997)A new method for empirical force field calculations on localized and delocalized carbocations., , and . J. Comput. Chem., 17 (12): 1406-1430 (1996)