Zeitschriftenartikel (189)
51.
Zeitschriftenartikel
116 (9), S. 1658 - 1666 (2019)
Lipid bilayer composition influences the activity of the antimicrobial peptide dermcidin channel. Biophysical Journal 52.
Zeitschriftenartikel
10 (1), 925 (2019)
A molecular mechanism for transthyretin amyloidogenesis. Nature Communications 53.
Zeitschriftenartikel
363 (6429), S. 875 - 880 (2019)
A pharmacological master key mechanism that unlocks the selectivity filter gate in K+ channels. Science 54.
Zeitschriftenartikel
5 (2), S. 780 - 794 (2019)
Molecular mechanism of polycation-induced pore formation in biomembranes. ACS Biomaterials Science and Engineering 55.
Zeitschriftenartikel
116 (3), S. 1059 - 1064 (2019)
Conotoxin κM-RIIIJ, a tool targeting asymmetric heteromeric Kv1 channels. Proceedings of the National Academy of Sciences of the United States of America 56.
Zeitschriftenartikel
116 (1), S. 4 - 11 (2019)
GROmaρs: A GROMACS-based toolset to analyze density maps derived from molecular dynamics simulations. Biophysical Journal 57.
Zeitschriftenartikel
15 (1), S. 698 - 707 (2019)
Interpretation of interfacial protein spectra with enhanced molecular simulation ensembles. Journal of Chemical Theory and Computation 58.
Zeitschriftenartikel
15 (3), S. 2064 - 2070 (2019)
Cholesterol flip-flop in heterogeneous membranes. Journal of Chemical Theory and Computation 59.
Zeitschriftenartikel
150 (16), 164120 (2019)
Identification of kinetic order parameters for non-equilibrium dynamics. The Journal of Chemical Physics 60.
Zeitschriftenartikel
141 (2), S. 858 - 869 (2019)
Mechanistic insights into microsecond time-scale motion of solid proteins using complementary 15N and 1H relaxation dispersion techniques. Journal of the American Chemical Society 61.
Zeitschriftenartikel
4 (12), S. 1708 - 1718 (2018)
Accurate estimation of ligand binding affinity changes upon protein mutation. ACS Central Science 62.
Zeitschriftenartikel
122 (39), S. 7924 - 7930 (2018)
Quantifying asymmetry of multimeric proteins. The Journal of Physical Chemistry A 63.
Zeitschriftenartikel
10 (8), S. 813 - 820 (2018)
Direct knock-on of desolvated ions governs strict ion selectivity in K+ channels. Nature Chemistry 64.
Zeitschriftenartikel
14 (7), S. 3397 - 3408 (2018)
Consistent prediction of mutation effect on drug binding in HIV-1 protease using alchemical calculations. Journal of Chemical Theory and Computation 65.
Zeitschriftenartikel
8, 6886 (2018)
In silico assessment of the conduction mechanism of the ryanodine receptor 1 reveals previously unknown exit pathways. Scientific Reports 66.
Zeitschriftenartikel
138-139, S. 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 67.
Zeitschriftenartikel
114 (6), S. 1336 - 1343 (2018)
Mechanism of mechanosensitive gating of the TREK-2 potassium channel. Biophysical Journal 68.
Zeitschriftenartikel
9, 717 (2018)
A single NaK channel conformation is not enough for non-selective ion conduction. Nature Communications 69.
Zeitschriftenartikel
8 (12), S. 2791 - 2808 (2017)
Resolving the atomistic modes of anle138b inhibitory action on peptide oligomer formation. ACS Chemical Neuroscience 70.
Zeitschriftenartikel
13 (12), S. 6275 - 6289 (2017)
Alchemical free energy calculations for nucleotide mutations in protein-DNA complexes. Journal of Chemical Theory and Computation 71.
Zeitschriftenartikel
628, S. 81 - 91 (2017)
Recent advances in measuring the kinetics of biomolecules by NMR relaxation dispersion spectroscopy. Archives of Biochemistry and Biophysics 72.
Zeitschriftenartikel
7, 4016 (2017)
Temperature dependence of protein-water interactions in a gated yeast aquaporin. Scientific Reports 73.
Zeitschriftenartikel
112 (7), S. 1396 - 1405 (2017)
Gating charge calculations by computational electrophysiology simulations. Biophysical Journal 74.
Zeitschriftenartikel
112 (5), S. 953 - 965 (2017)
Role of pore-lining residues in defining the rate of water conduction by Aquaporin-0. Biophysical Journal 75.
Zeitschriftenartikel
8, 124 (2017)
Localization and ordering of lipids around Aquaporin-0: Proteinand lipid mobility effects. Frontiers in Physiology 76.
Zeitschriftenartikel
57 (2), S. 109 - 114 (2017)
pmx Webserver: A user friendly interface for alchemistry. Journal of Chemical Information and Modeling 77.
Zeitschriftenartikel
14 (1), S. 71 - 73 (2017)
CHARMM36m: An improved force field for folded and intrinsically disordered proteins. Nature Methods 78.
Zeitschriftenartikel
111 (6), S. 1223 - 1234 (2016)
Voltage dependence of conformational dynamics and subconducting states of VDAC-1. Biophysical Journal 79.
Zeitschriftenartikel
113 (37), S. 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 80.
Zeitschriftenartikel
6, 33156 (2016)
An atomistic view of amyloidogenic self-assembly: Structure and dynamics of heterogeneous conformational states in the pre-nucleation phase. Scientific Reports 81.
Zeitschriftenartikel
291 (36), S. 19184 - 19195 (2016)
Aquaporin 4 as a NH3 channel. Journal of Biological Chemistry 82.
Zeitschriftenartikel
1858 (7, B), S. 1741 - 1752 (2016)
Insights into the function of ion channels by computational electrophysiology simulations. Biochimica et Biophysica Acta - Biomembranes 83.
Zeitschriftenartikel
55 (26), S. 7364 - 7368 (2016)
Accurate and rigorous prediction of the changes in protein free energies in a large-scale mutation scan. Angewandte Chemie-International Edition 84.
Zeitschriftenartikel
103 (2), S. 351 - 362 (2016)
Partial least squares for dependent data. Biometrika 85.
Zeitschriftenartikel
14 (3), e1002411 (2016)
Crystal structure of an ammonia-permeable aquaporin. PLOS Biology 86.
Zeitschriftenartikel
113 (12), S. 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 87.
Zeitschriftenartikel
164 (5), S. 937 - 949 (2016)
A non-canonical voltage sensor controls gating in K2P K2 channels. Cell 88.
Zeitschriftenartikel
23 (12), S. 2309 - 2318 (2015)
H95 is a pH-dependent gate in Aquaporin 4. Structure 89.
Zeitschriftenartikel
10 (11), e0143399 (2015)
Role of structural dynamics at the receptor G protein interface for signal transduction. PLOS One 90.
Zeitschriftenartikel
11 (11), S. 5513 - 5524 (2015)
Structural ensembles of intrinsically disordered proteins depend strongly on force field: A comparison to experiment. Journal of Chemical Theory and Computation 91.
Zeitschriftenartikel
63 (3), S. 299 - 307 (2015)
Improved validation of IDP ensembles by one-bond Cα-Hα scalar couplings. Journal of Biomolecular NMR 92.
Zeitschriftenartikel
36 (26), S. 1990 - 2008 (2015)
Best bang for your buck: GPU nodes for GROMACS biomolecular simulations. Journal of Computational Chemistry 93.
Zeitschriftenartikel
112 (40), S. 12390 - 12395 (2015)
The membrane anchor of the transcriptional activator SREBP is characterized by intrinsic conformational flexibility. Proceedings of the National Academy of Sciences of the United States of America 94.
Zeitschriftenartikel
Best bang for your buck: GPU nodes for GROMACS biomolecular simulations. arXiv, 1507.00898v1 (2015)
95.
Zeitschriftenartikel
308 (12), S. F1324 - F1334 (2015)
ClC-K chloride channels: Emerging pathophysiology of Bartter syndrome type 3. American Journal of Physiology-Renal Physiology 96.
Zeitschriftenartikel
108 (10), S. 2585 - 2590 (2015)
Binding affinities controlled by shifting conformational equilibria: Opportunities and limitations. Biophysical Journal 97.
Zeitschriftenartikel
36 (5), S. 348 - 354 (2015)
Pmx: Automated protein structure and topology generation for alchemical perturbations. Journal of Computational Chemistry 98.
Zeitschriftenartikel
160 (3), S. 542 - 553 (2015)
Mechanisms of anion conduction by coupled glutamate transporters. Cell 99.
Zeitschriftenartikel
54 (1), S. 207 - 210 (2015)
Population shuffling of protein conformations. Angewandte Chemie International Edition 100.
Zeitschriftenartikel
345 (6207), S. 352 - 355 (2014)
Ion permeation in K+ channels occurs by direct Coulomb knock-on. Science