Publications of the Department (MPG.PuRe list)
Journal Article (24)
1.
Journal Article
138 (51), pp. 16620 - 16631 (2016)
The low barrier hydrogen bond in the photoactive yellow protein: A vacuum artifact absent in the crystal and solution. Journal of the American Chemical Society 2.
Journal Article
540 (7631), pp. 80 - 85 (2016)
The pathway to GTPase activation of elongation factor SelB on the ribosome. Nature 3.
Journal Article
6 (4), 041037 (2016)
Universal proximity effect in target search kinetics in the few-encounter limit. Physical Review X 4.
Journal Article
117 (18), 188102 (2016)
Exploiting lipid permutation symmetry to compute membrane remodeling free energies. Physical Review Letters 5.
Journal Article
117 (18), 188102 (2016)
Exploiting lipid permutation symmetry to compute membrane remodeling free energies. Physical Review Letters 6.
Journal Article
111 (8), pp. 1668 - 1678 (2016)
A quantitative model for cAMP binding to the binding domain of MloK1. Biophysical Journal 7.
Journal Article
111 (6), pp. 1223 - 1234 (2016)
Voltage dependence of conformational dynamics and subconducting states of VDAC-1. Biophysical Journal 8.
Journal Article
113 (37), pp. 10358 - 10363 (2016)
Insights into the molecular basis for substrate binding and specificity of the wild-type L-arginine/agmatine antiporter AdiC. Proceedings of the National Academy of Sciences of the United States of America 9.
Journal Article
6, 33156 (2016)
An atomistic view of amyloidogenic self-assembly: Structure and dynamics of heterogeneous conformational states in the pre-nucleation phase. Scientific Reports 10.
Journal Article
291 (36), pp. 19184 - 19195 (2016)
Aquaporin 4 as a NH3 channel. Journal of Biological Chemistry 11.
Journal Article
49 (36), 364001 (2016)
Active transport improves the precision of linear long distance molecular signalling. Journal of Physics A: Mathematical and Theoretical 12.
Journal Article
7, 12026 (2016)
A combined cryo-EM and molecular dynamics approach reveals the mechanism of ErmBL-mediated translation arrest. Nature Communications 13.
Journal Article
1858 (7, B), pp. 1741 - 1752 (2016)
Insights into the function of ion channels by computational electrophysiology simulations. Biochimica et Biophysica Acta - Biomembranes 14.
Journal Article
55 (26), pp. 7364 - 7368 (2016)
Accurate and rigorous prediction of the changes in protein free energies in a large-scale mutation scan. Angewandte Chemie-International Edition 15.
Journal Article
103 (2), pp. 351 - 362 (2016)
Partial least squares for dependent data. Biometrika 16.
Journal Article
A single predator charging a herd of prey: Effects of self volume and predator–prey decision-making. Journal of Physics A: Mathematical and Theoretical (22), 225601 (2016)
17.
Journal Article
201, pp. 159 - 166 (2016)
BASDet: Bayesian approach(es) for structure determination from single molecule X-ray diffration images. Computer Physics Communications 18.
Journal Article
14 (3), e1002411 (2016)
Crystal structure of an ammonia-permeable aquaporin. PLOS Biology 19.
Journal Article
113 (12), pp. 3269 - 3274 (2016)
Allosteric switch regulates protein–protein binding through collective motion. Proceedings of the National Academy of Sciences of the United States of America 20.
Journal Article
12 (3), pp. 1040 - 1051 (2016)
Charge-neutral constant pH molecular dynamics simulations using a parsimonious proton buffer. Journal of Chemical Theory and Computation 21.
Journal Article
164 (5), pp. 937 - 949 (2016)
A non-canonical voltage sensor controls gating in K2P K2 channels. Cell 22.
Journal Article
6, 20349 (2016)
First passage time distribution in heterogeneity controlled kinetics: Going beyond the mean first passage time. Scientific Reports 23.
Journal Article
110 (2), pp. 455 - 469 (2016)
Phi29 Connector-DNA interactions govern DNA crunching and rotation, supporting the check-valve model. Biophysical Journal 24.
Journal Article
198, pp. 169 - 178 (2016)
NuSol: Numerical solver for the 3D stationary nuclear Schrödinger equation. Computer Physics Communications