Publications of the Department (MPG.PuRe list)
Journal Article (18)
1.
Journal Article
8 (12), pp. 2791 - 2808 (2017)
Resolving the atomistic modes of anle138b inhibitory action on peptide oligomer formation. ACS Chemical Neuroscience 2.
Journal Article
13 (12), pp. 6275 - 6289 (2017)
Alchemical free energy calculations for nucleotide mutations in protein-DNA complexes. Journal of Chemical Theory and Computation 3.
Journal Article
Molecular simulations of the ribosome and associated translation factors. arXiv, arXiv:1711.06067 (2017)
4.
Journal Article
68 (3), pp. 515 - 527 (2017)
Structural basis for polyproline-mediated ribosome stalling and rescue by the translation elongation factor EF-P. Molecular Cell 5.
Journal Article
8 (16), pp. 3759 - 3764 (2017)
Cationic and anionic impact on the electronic structure of liquid water. Journal of Physical Chemistry Letters 6.
Journal Article
628, pp. 81 - 91 (2017)
Recent advances in measuring the kinetics of biomolecules by NMR relaxation dispersion spectroscopy. Archives of Biochemistry and Biophysics 7.
Journal Article
29 (27), 1701171 (2017)
Materials nanoarchitecturing via cation-mediated protein assembly: Making limpet teeth without mineral. Advanced Materials 8.
Journal Article
7, 4016 (2017)
Temperature dependence of protein-water interactions in a gated yeast aquaporin. Scientific Reports 9.
Journal Article
7, 3878 (2017)
Quantifying non-ergodicity of anomalous diffusion with higher order moments. Scientific Reports 10.
Journal Article
112 (7), pp. 1396 - 1405 (2017)
Gating charge calculations by computational electrophysiology simulations. Biophysical Journal 11.
Journal Article
13 (4), pp. 363 - 365 (2017)
Engineering fatty acid synthases for directed polyketide production. Nature Chemical Biology 12.
Journal Article
139 (11), pp. 4025 - 4034 (2017)
Mechanochemical energy transduction during the main rotary step in the synthesis cycle of F1-ATPase. Journal of the American Chemical Society 13.
Journal Article
112 (5), pp. 953 - 965 (2017)
Role of pore-lining residues in defining the rate of water conduction by Aquaporin-0. Biophysical Journal 14.
Journal Article
8, 124 (2017)
Localization and ordering of lipids around Aquaporin-0: Proteinand lipid mobility effects. Frontiers in Physiology 15.
Journal Article
57 (2), pp. 109 - 114 (2017)
pmx Webserver: A user friendly interface for alchemistry. Journal of Chemical Information and Modeling 16.
Journal Article
50 (8), 084001 (2017)
First passage time statistics for two-channel diffusion. Journal of Physics A: Mathematical and Theoretical 17.
Journal Article
13 (1), pp. 147 - 160 (2017)
Accurate three states model for amino acids with two chemically coupled titrating sites in explicit solvent atomistic constant pH simulations and pKa calculations. Journal of Chemical Theory and Computation 18.
Journal Article
14 (1), pp. 71 - 73 (2017)
CHARMM36m: An improved force field for folded and intrinsically disordered proteins. Nature Methods Book Chapter (1)
19.
Book Chapter
Protein dynamics: From structure to function. In: From protein structure to function with bioinformatics, pp. 393 - 425 (Ed. Rigden, D. J.). Springer, Dordrecht (2017)