Search results
Journal Article (126)
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1.Journal ArticleConotoxin κM-RIIIJ, a tool targeting asymmetric heteromeric Kv1 channels. Proceedings of the National Academy of Sciences of the United States of America 116 (3), pp. 1059 - 1064 (2019)
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2.Journal ArticleGROmaρs: A GROMACS-based toolset to analyze density maps derived from molecular dynamics simulations. Biophysical Journal 116 (1), pp. 4 - 11 (2019)
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3.Journal ArticleInterpretation of interfacial protein spectra with enhanced molecular simulation ensembles. Journal of Chemical Theory and Computation 15 (1), pp. 698 - 707 (2019)
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4.Journal ArticleMechanistic insights into microsecond time-scale motion of solid proteins using complementary 15N and 1H relaxation dispersion techniques. Journal of the American Chemical Society 141 (2), pp. 858 - 869 (2019)
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5.Journal ArticleAccurate estimation of ligand binding affinity changes upon protein mutation. ACS Central Science 4 (12), pp. 1708 - 1718 (2018)
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6.Journal ArticleDirect knock-on of desolvated ions governs strict ion selectivity in K+ channels. Nature Chemistry 10 (8), pp. 813 - 820 (2018)
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7.Journal ArticleIn silico assessment of the conduction mechanism of the Ryanodine Receptor 1 reveals previously unknown exit pathways. Scientific Reports (2018)
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8.Journal ArticleUtilizing dipole-dipole cross-correlated relaxation for the measurement of angles between pairs of opposing CαHα-CαHα bonds in anti-parallel β-sheets. Methods 138-139, pp. 85 - 92 (2018)
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9.Journal ArticleMechanism of mechanosensitive gating of the TREK-2 potassium channel. Biophysical Journal 114 (6), pp. 1336 - 1343 (2018)
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10.Journal ArticleA single NaK channel conformation is not enough for non-selective ion conduction. Nature Communications (2018)
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11.Journal ArticleConsistent prediction of mutation effect on drug binding in HIV-1 protease using alchemical calculations. Journal of Chemical Theory and Computation 14 (7), pp. 3397 - 3408 (2018)
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12.Journal ArticleQuantifying asymmetry of multimeric proteins. The Journal of Physical Chemistry A 122 (39), pp. 7924 - 7930 (2018)
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13.Journal ArticleResolving the atomistic modes of anle138b inhibitory action on peptide oligomer formation. ACS Chemical Neuroscience 8 (12), pp. 2791 - 2808 (2017)
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14.Journal ArticleAlchemical free energy calculations for nucleotide mutations in protein-DNA complexes. Journal of Chemical Theory and Computation 13 (12), pp. 6275 - 6289 (2017)
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15.Journal ArticleRecent advances in measuring the kinetics of biomolecules by NMR relaxation dispersion spectroscopy. Archives of Biochemistry and Biophysics 628, pp. 81 - 91 (2017)
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16.Journal ArticleTemperature dependence of protein-water interactions in a gated yeast aquaporin. Scientific Reports (2017)
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17.Journal ArticleGating charge calculations by computational electrophysiology simulations. Biophysical Journal 112 (7), pp. 1396 - 1405 (2017)
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18.Journal ArticleRole of pore-lining residues in defining the rate of water conduction by Aquaporin-0. Biophysical Journal 112 (5), pp. 953 - 965 (2017)
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19.Journal Articlepmx Webserver: A user friendly interface for alchemistry. Journal of Chemical Information and Modeling 57 (2), pp. 109 - 114 (2017)
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20.Journal ArticleCHARMM36m: An improved force field for folded and intrinsically disordered proteins. Nature Methods 14 (1), pp. 71 - 73 (2017)