Prof Dr. Thomas E. Exner
Professor
Pharmaceutical Chemistry
University of Tubingen
Germany
Biography
Prof Dr. Thomas E. Exner done his PhD and now working as an Professor in Tubingen university.His research areas included Quantum Chemistry of Large Systems,Structure Prediction Based on NMR-Constraints,Molecular Dynamics,Molecular Recognition - Docking
Research Interest
Quantum Chemistry of Large Systems,Structure Prediction Based on NMR-Constraints,Molecular Dynamics,Molecular Recognition - Docking
Publications
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Exner TE, Frank A, Onila I, Möller HM. Toward the quantum chemical calculation of NMR chemical shifts of proteins. 3. Conformational sampling and explicit solvents model. Journal of chemical theory and computation. 2012 Oct 15;8(11):4818-27.
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Frank A, Möller HM, Exner TE. Toward the quantum chemical calculation of NMR chemical shifts of proteins. 2. Level of theory, basis set, and solvents model dependence. Journal of chemical theory and computation. 2012 Mar 30;8(4):1480-92.
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Ten Brink T, Aguirre C, Exner TE, Krimm I. Performance of Protein–Ligand Docking with Simulated Chemical Shift Perturbations. Journal of chemical information and modeling. 2014 Oct 30;55(2):275-83.
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Sommer R, Exner TE, Titz A. A biophysical study with carbohydrate derivatives explains the molecular basis of monosaccharide selectivity of the Pseudomonas aeruginosa Lectin LecB. PLoS One. 2014 Nov 21;9(11):e112822.
