Publications of Helmut Grubmüller
All genres
Journal Article (238)
1.
Journal Article
Reference Data Set for Circular Dichroism Spectroscopy Comprised of Validated Intrinsically Disordered Protein Models. Applied Spectroscopy (2024)
2.
Journal Article
15, pp. 4960 - 4968 (2024)
Infrared spectroscopy reveals metal-independent carbonic anhydrase activity in crotonyl-CoA carboxylase/reductase. Chemical Science 3.
Journal Article
63 (24), pp. 7807 - 7815 (2023)
Conformational Dynamics of the Most Efficient Carboxylase Contributes to Efficient CO2 Fixation. Journal of Chemical Information and Modeling 4.
Journal Article
19 (22), pp. 8013 - 8019 (2023)
Why Solvent Response Contributions to Solvation Free Energies Are Compatible with Ben-Naim’s Theorem. Journal of Chemical Theory and Computation 5.
Journal Article
19 (16), pp. 5516 - 5524 (2023)
Uncertainties in Markov State Models of Small Proteins. Journal of Chemical Theory and Computation 6.
Journal Article
30, pp. 1380 - 1392 (2023)
Structural conservation of antibiotic interaction with ribosomes. Nature Structural & Molecular Biology 7.
Journal Article
52, pp. 361 - 390 (2023)
Simulation of Complex Biomolecular Systems: The Ribosome Challenge. Annual Review of Biophysics 8.
Journal Article
30, pp. 512 - 520 (2023)
Discrimination between cyclic nucleotides in a cyclic nucleotide-gated ion channel. Nature Structural and Molecular Biology 9.
Journal Article
120 (8), e2215650120 (2023)
Molecular mechanism and energetics of coupling between substrate binding and product release in the F1-ATPase catalytic cycle. Proceedings of the National Academy of Sciences of the United States of America 10.
Journal Article
20, pp. 2587 - 2599 (2022)
Nanomechanics combined with HDX reveals allosteric drug binding sites of CFTR NBD1. Computational and Structural Biotechnology Journal 11.
Journal Article
8 (8), pp. 1091 - 1101 (2022)
Intersubunit Coupling Enables Fast CO2-Fixation by Reductive Carboxylases. ACS Central Science 12.
Journal Article
105, 044404 (2022)
Estimating ruggedness of free-energy landscapes of small globular proteins from principal component analysis of molecular dynamics trajectories. Physical Review E 13.
Journal Article
62 (7), pp. 1691 - 1711 (2022)
GROMACS in the cloud: A global supercomputer to speed up alchemical drug design. Journal of Chemical Information and Modeling 14.
Journal Article
13, 1709 (2022)
Effects of cryo-EM cooling on structural ensembles. Nature Communications 15.
Journal Article
119 (12), e2115516119 (2022)
Bending-torsional elasticity and energetics of the plus-end microtubule tip. Proceedings of the National Academy of Sciences of the United States of America 16.
Journal Article
50 (4), pp. 2258 - 2269 (2022)
Folding of VemP into translation-arresting secondary structure is driven by the ribosome exit tunnel. Nucleic Acids Research 17.
Journal Article
104 (5), 054133 (2021)
Small-sample limit of the Bennett acceptance ratio method and the variationally derived intermediates. Physical Review E 18.
Journal Article
266, 108022 (2021)
Implementation of a Bayesian secondary structure estimation method for the SESCA circular dichroism analysis package. Computer Physics Communications 19.
Journal Article
17 (9), pp. 5766 - 5776 (2021)
Time-lagged independent component analysis of random walks and protein dynamics. Journal of Chemical Theory and Computation 20.
Journal Article
120, pp. 3470 - 3482 (2021)
Spatially resolved free-energy contributions of native fold and molten-globule-like Crambin. Biophysical Journal