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Journal Article (237)
1.
Journal Article
15, pp. 4960 - 4968 (2024)
Infrared spectroscopy reveals metal-independent carbonic anhydrase activity in crotonyl-CoA carboxylase/reductase. Chemical Science 2.
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 3.
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 4.
Journal Article
19 (16), pp. 5516 - 5524 (2023)
Uncertainties in Markov State Models of Small Proteins. Journal of Chemical Theory and Computation 5.
Journal Article
30, pp. 1380 - 1392 (2023)
Structural conservation of antibiotic interaction with ribosomes. Nature Structural & Molecular Biology 6.
Journal Article
52, pp. 361 - 390 (2023)
Simulation of Complex Biomolecular Systems: The Ribosome Challenge. Annual Review of Biophysics 7.
Journal Article
30, pp. 512 - 520 (2023)
Discrimination between cyclic nucleotides in a cyclic nucleotide-gated ion channel. Nature Structural and Molecular Biology 8.
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 9.
Journal Article
20, pp. 2587 - 2599 (2022)
Nanomechanics combined with HDX reveals allosteric drug binding sites of CFTR NBD1. Computational and Structural Biotechnology Journal 10.
Journal Article
8 (8), pp. 1091 - 1101 (2022)
Intersubunit Coupling Enables Fast CO2-Fixation by Reductive Carboxylases. ACS Central Science 11.
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 12.
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 13.
Journal Article
13, 1709 (2022)
Effects of cryo-EM cooling on structural ensembles. Nature Communications 14.
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 15.
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 16.
Journal Article
104 (5), 054133 (2021)
Small-sample limit of the Bennett acceptance ratio method and the variationally derived intermediates. Physical Review E 17.
Journal Article
266, 108022 (2021)
Implementation of a Bayesian secondary structure estimation method for the SESCA circular dichroism analysis package. Computer Physics Communications 18.
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 19.
Journal Article
120, pp. 3470 - 3482 (2021)
Spatially resolved free-energy contributions of native fold and molten-globule-like Crambin. Biophysical Journal 20.
Journal Article
12, 4466 (2021)
Structural and mechanistic basis for translation inhibition by macrolide and ketolide antibiotics. Nature Communications