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Zeitschriftenartikel (15)
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1.ZeitschriftenartikelAccurate and rigorous prediction of the changes in protein free energies in a large-scale mutation scan. Angewandte Chemie-International Edition 55 (26), S. 7364 - 7368 (2016)
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2.ZeitschriftenartikelPmx: Automated protein structure and topology generation for alchemical perturbations. Journal of Computational Chemistry 36 (5), S. 348 - 354 (2015)
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3.ZeitschriftenartikelA designed conformational shift to control protein binding specificity. Angewandte Chemie International Edition 53 (39), S. 10367 - 10371 (2014)
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4.ZeitschriftenartikelDiscovery of novel human aquaporin-1 blockers. ACS Chemical Biology 8 (1), S. 249 - 256 (2013)
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5.ZeitschriftenartikelNew soft-core potential function for molecular dynamics based alchemical free energy calculations. Journal of Chemical Theory and Computation 8 (7), S. 2373 - 2382 (2012)
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6.ZeitschriftenartikelQuantitative assessment of protein interaction with methyl-lysine analogues by hybrid computational and experimental approaches. ACS Chemical Biology 7 (1), S. 150 - 154 (2012)
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7.ZeitschriftenartikelTowards computional specificity screening of DNA-binding proteins. Nucleic Acids Research 39 (19), S. 8281 - 8290 (2011)
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8.ZeitschriftenartikelProtein thermostability calculations using alchemical free energy simulations. Biophysical Journal 98 (10), S. 2309 - 2316 (2010)
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9.ZeitschriftenartikelLigand docking and binding site analysis with PyMOL and Autodock/Vina. Journal of Computer-Aided Molecular Design 24 (5), S. 417 - 422 (2010)
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10.ZeitschriftenartikelThe thermodynamic influence of trapped water molecules on a protein-ligand interaction. Angewandte Chemie - International Edition 48 (28), S. 5207 - 5210 (2009)
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11.ZeitschriftenartikeltCONCOORD-GUI: Visually supported conformational sampling of bioactive molecules. Journal of Computational Chemistry 30 (7), S. 1160 - 1166 (2009)
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12.ZeitschriftenartikelThe molecular mechanism of toxin-induced conformational changes in a potassium channel: relation to C-type inactivation. Structure 16 (5), S. 747 - 754 (2008)
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13.ZeitschriftenartikelGeometry-based sampling of conformational transitions in proteins. Structure 15 (11), S. 1482 - 1492 (2007)
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14.ZeitschriftenartikelAtomic contacts in protein structures. A detailed analysis of atomic radii, packing, and overlaps. Proteins-Structure Function and Bioinformatics 68 (3), S. 595 - 601 (2007)
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15.ZeitschriftenartikelPrediction of protein flexibility from geometrical constraints. Bio Tech Interantional 18, S. 20 - 22 (2006)
Buchkapitel (2)
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16.BuchkapitelProtein dynamics: From structure to function. In: From protein structure to function with bioinformatics, S. 393 - 425 (Hg. Rigden, D. J.). Springer, Dordrecht (2017)
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17.BuchkapitelProtein dynamics: From structure to function. In: From Protein Structure to Function with Bioinformatics, S. 217 - 249 (Hg. Rigden, D.J.). Springer, Dordrecht (2009)
Konferenzbeitrag (1)
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18.KonferenzbeitragPrediction of protein flexibility from geometrical constraints. FEBS Journal 272 (Suppl. 1), S. 361 - 361 (2005)
Hochschulschrift - Doktorarbeit (1)
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19.Hochschulschrift - DoktorarbeitGeometry-based conformational sampling of proteins. Dissertation, Universität Göttingen, Göttingen (2008)