Publications of the Department (MPG.PuRe list)
Journal Article (16)
1.
Journal Article
4 (12), pp. 1708 - 1718 (2018)
Accurate estimation of ligand binding affinity changes upon protein mutation. ACS Central Science 2.
Journal Article
20 (11), 112002 (2018)
Duality between relaxation and first passage in reversible Markov dynamics: Rugged energy landscapes disentangled. New Journal of Physics 3.
Journal Article
20, 113021 (2018)
Unfolding tagged particle histories in single-file diffusion: Exact single- and two-tag local times beyond large deviation theory. New Journal of Physics 4.
Journal Article
19 (19), pp. 2507 - 2511 (2018)
Transient secondary and tertiary structure formation kinetics in the intrinsically disordered state of α-Synuclein from atomistic simulations. ChemPhysChem 5.
Journal Article
122 (39), pp. 7924 - 7930 (2018)
Quantifying asymmetry of multimeric proteins. The Journal of Physical Chemistry A 6.
Journal Article
51 (34), 343001 (2018)
The 2018 biomembrane curvature and remodeling roadmap. Journal of Physics D: Applied Physics 7.
Journal Article
10 (8), pp. 813 - 820 (2018)
Direct knock-on of desolvated ions governs strict ion selectivity in K+ channels. Nature Chemistry 8.
Journal Article
14 (7), pp. 3397 - 3408 (2018)
Consistent prediction of mutation effect on drug binding in HIV-1 protease using alchemical calculations. Journal of Chemical Theory and Computation 9.
Journal Article
9, 2375 (2018)
Structure determination from single molecule X-ray scattering with three photons per image. Nature Communications 10.
Journal Article
14 (6), pp. 2843 - 2851 (2018)
Kinetics of huperzine A dissociation from acetylcholinesterase via multiple unbinding pathways. Journal of Chemical Theory and Computation 11.
Journal Article
8, 6886 (2018)
In silico assessment of the conduction mechanism of the ryanodine receptor 1 reveals previously unknown exit pathways. Scientific Reports 12.
Journal Article
7, e34353 (2018)
Microtubule assembly governed by tubulin allosteric gain in flexibility and lattice induced fit. eLife 13.
Journal Article
49, pp. 27 - 35 (2018)
Molecular simulations of the ribosome and associated translation factors. Current Opinion in Structural Biology 14.
Journal Article
138-139, pp. 85 - 92 (2018)
Utilizing dipole-dipole cross-correlated relaxation for the measurement of angles between pairs of opposing CαHα-CαHα bonds in anti-parallel β-sheets. Methods 15.
Journal Article
114 (6), pp. 1336 - 1343 (2018)
Mechanism of mechanosensitive gating of the TREK-2 potassium channel. Biophysical Journal 16.
Journal Article
9, 717 (2018)
A single NaK channel conformation is not enough for non-selective ion conduction. Nature Communications