Publikationen von Helmut Grubmüller
Alle Typen
Zeitschriftenartikel (251)
1.
Zeitschriftenartikel
122 (22), e2424263122 (2025)
Microtubule dynamics are defined by conformations and stability of clustered protofilaments. Proceedings of the National Academy of Sciences of the United States of America 2.
Zeitschriftenartikel
22, S. 641 - 645 (2025)
The need to implement FAIR principles in biomolecular simulations. Nature Methods 3.
Zeitschriftenartikel
32, S. 650 - 661 (2025)
Interfacial water confers transcription factors with dinucleotide specificity. Nature Structural & Molecular Biology 4.
Zeitschriftenartikel
21 (4), S. 1762 - 1786 (2025)
Constant pH Simulation with FMM Electrostatics in GROMACS. (A) Design and Applications. Journal of Chemical Theory and Computation 5.
Zeitschriftenartikel
21 (4), S. 1787 - 1804 (2025)
Constant pH Simulation with FMM Electrostatics in GROMACS. (B) GPU Accelerated Hamiltonian Interpolation. Journal of Chemical Theory and Computation 6.
Zeitschriftenartikel
46 (5), e70059 (2025)
Scaling of the GROMACS Molecular Dynamics Code to 65k CPU Cores on an HPC Cluster. Journal of Computational Chemistry 7.
Zeitschriftenartikel
43 (24), S. 6705 - 6739 (2024)
Determinants of chemoselectivity in ubiquitination by the J2 family of ubiquitin-conjugating enzymes. The EMBO Journal 8.
Zeitschriftenartikel
110, 054408 (2024)
Hidden length lets collagen buffer mechanical and chemical stress. Physical Review E 9.
Zeitschriftenartikel
10 (43), eadp4425 (2024)
Bayesian electron density determination from sparse and noisy single-molecule X-ray scattering images. Science Advances 10.
Zeitschriftenartikel
78 (9), S. 897 - 911 (2024)
Reference Data Set for Circular Dichroism Spectroscopy Comprised of Validated Intrinsically Disordered Protein Models. Applied Spectroscopy 11.
Zeitschriftenartikel
21, S. 1608 - 1611 (2024)
Microsecond time-resolved X-ray scattering by utilizing MHz repetition rate at second-generation XFELs. Nature Methods 12.
Zeitschriftenartikel
21, S. 1340 - 1348 (2024)
Outcomes of the EMDataResource cryo-EM Ligand Modeling Challenge. Nature Methods 13.
Zeitschriftenartikel
86, 102825 (2024)
Single-particle Cryo-EM and molecular dynamics simulations: A perfect match. Current Opinion in Structural Biology 14.
Zeitschriftenartikel
15, 3945 (2024)
Multimodal binding and inhibition of bacterial ribosomes by the antimicrobial peptides Api137 and Api88. Nature Communications 15.
Zeitschriftenartikel
15, S. 4960 - 4968 (2024)
Infrared spectroscopy reveals metal-independent carbonic anhydrase activity in crotonyl-CoA carboxylase/reductase. Chemical Science 16.
Zeitschriftenartikel
63 (24), S. 7807 - 7815 (2023)
Conformational Dynamics of the Most Efficient Carboxylase Contributes to Efficient CO2 Fixation. Journal of Chemical Information and Modeling 17.
Zeitschriftenartikel
19 (22), S. 8013 - 8019 (2023)
Why Solvent Response Contributions to Solvation Free Energies Are Compatible with Ben-Naim’s Theorem. Journal of Chemical Theory and Computation 18.
Zeitschriftenartikel
19 (16), S. 5516 - 5524 (2023)
Uncertainties in Markov State Models of Small Proteins. Journal of Chemical Theory and Computation 19.
Zeitschriftenartikel
30, S. 1380 - 1392 (2023)
Structural conservation of antibiotic interaction with ribosomes. Nature Structural & Molecular Biology 20.
Zeitschriftenartikel
52, S. 361 - 390 (2023)
Simulation of Complex Biomolecular Systems: The Ribosome Challenge. Annual Review of Biophysics