Publications
Journal Article (7)
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1.Journal ArticleDetection of functional modes in protein dynamics. PLoS Computational Biology 5 (8), e1000480 (2009)
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2.Journal ArticleSecondary structure propensities in peptide folding simulations: A systematic comparison of molecular mechanics interaction schemes. Biophysical Journal 97 (2), pp. 599 - 608 (2009)
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3.Journal ArticleDomain motions of hyaluronan lyase underlying processive hyaluronan translocation. Proteins: Structure, Function and Bioinformatics 76 (1), pp. 30 - 46 (2009)
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4.Journal ArticleThe thermodynamic influence of trapped water molecules on a protein-ligand interaction. Angewandte Chemie - International Edition 48 (28), pp. 5207 - 5210 (2009)
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5.Journal ArticletCONCOORD-GUI: Visually supported conformational sampling of bioactive molecules. Journal of Computational Chemistry 30 (7), pp. 1160 - 1166 (2009)
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6.Journal ArticleDeterminants of water permeability through nanoscopic hydrophilic channels. Biophysical Journal 96 (3), pp. 925 - 938 (2009)
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7.Journal ArticlePredicting free energy changes using structural ensembles. Nature Methods 6 (1), pp. 3 - 4 (2009)
Book Chapter (2)
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8.Book ChapterDynamics and energetics of permeation through aquaporins. What do we learn from molecular dynamics simulations? In: Aquaporins, pp. 57 - 76 (Ed. Beitz, E.). Springer, Berlin (2009)
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9.Book ChapterProtein dynamics: From structure to function. In: From Protein Structure to Function with Bioinformatics, pp. 217 - 249 (Ed. Rigden, D.J.). Springer, Dordrecht (2009)