Gerhard Hummer: Theoretical Biophysics – Department Publications
Journal Article (25)
2023
Journal Article
19 (24), pp. 9060 - 9076 (2023)
Molecular Free Energies, Rates, and Mechanisms from Data-Efficient Path Sampling Simulations. Journal of Chemical Theory and Computation
Journal Article
19 (23), pp. 8919 - 8929 (2023)
Neighbor List Artifacts in Molecular Dynamics Simulations. Journal of Chemical Theory and Computation
Journal Article
14 (1), 7197 (2023)
Cell-free biosynthesis combined with deep learning accelerates de novo-development of antimicrobial peptides. Nature Communications
Journal Article
39 (44), pp. 15553 - 15562 (2023)
Adsorbing DNA to Mica by Cations: Influence of Valency and Ion Type. Langmuir
Journal Article
30 (11), pp. 1774 - 1785 (2023)
Molecular mechanisms of inorganic-phosphate release from the core and barbed end of actin filaments. Nature Structural & Molecular Biology
Journal Article
19 (20), pp. 7387 - 7404 (2023)
Martini 3 Coarse-Grained Force Field for Cholesterol. Journal of Chemical Theory and Computation
Journal Article
14, 5979 (2023)
Driving forces behind phase separation of the carboxy-terminal domain of RNA polymerase II. Nature Communications
Journal Article
52 (18), pp. 6497 - 6553 (2023)
Interaction of SARS-CoV-2 with host cells and antibodies: experiment and simulation. Chemical Society Reviews
Journal Article
108 (3), 035307 (2023)
Efficient generation of random rotation matrices in four dimensions. Physical Review E
Journal Article
33 (16), pp. 3423 - 3435.e5 (2023)
Structure-function analysis suggests that the photoreceptor LITE-1 is a light-activated ion channel. Current biology: CB
Journal Article
19 (8), pp. 992 - 1003 (2023)
Dissecting the conformational complexity and mechanism of a bacterial heme transporter. Nature Chemical Biology
Journal Article
14, 4165 (2023)
Crosstalk between regulatory elements in disordered TRPV4 N-terminus modulates lipid-dependent channel activity. Nature Communications
Journal Article
15 (27), pp. 11647 - 11656 (2023)
Structural insights on ionizable Dlin-MC3-DMA lipids in DOPC layers by combining accurate atomistic force fields, molecular dynamics simulations and neutron reflectivity. Nanoscale
Journal Article
19, pp. 3406 - 3417 (2023)
Unwrapping NPT Simulations to Calculate Diffusion Coefficients. Journal of Chemical Theory and Computation
Journal Article
618 (7964), pp. 402 - 410 (2023)
Heteromeric clusters of ubiquitinated ER-shaping proteins drive ER-phagy. Nature
Journal Article
618 (7964), pp. 394 - 401 (2023)
Ubiquitination regulates ER-phagy and remodelling of endoplasmic reticulum. Nature
Journal Article
19 (9), pp. 2601 - 2606 (2023)
“Autophagic landscapes: on the paradox of survival through self-degradation” – A science-inspired exhibition. Autophagy
Journal Article
23 (10), pp. 4111 - 4119 (2023)
Anisotropic Friction in a Ligand-Protein Complex. Nano Letters
Journal Article
30 (5), pp. 499 - 512 (2023)
Selective killing of the human gastric pathogen Helicobacter pylori by mitochondrial respiratory complex I inhibitors. Cell Chemical Biology
Journal Article
617 (7959), pp. 162 - 169 (2023)
Visualizing the disordered nuclear transport machinery in situ. Nature
Journal Article
3 (4), pp. 334 - 345 (2023)
Machine-guided path sampling to discover mechanisms of molecular self-organization. Nature Computational Science
Journal Article
19 (5), pp. 1592 - 1601 (2023)
Optimal Bond Constraint Topology for Molecular Dynamics Simulations of Cholesterol. Journal of Chemical Theory and Computation
Journal Article
78, 102501 (2023)
Structural ensembles of disordered proteins from hierarchical chain growth and simulation. Current Opinion in Structural Biology
Journal Article
19 (1), e1010822 (2023)
Antibody accessibility determines location of spike surface mutations in SARS-CoV-2 variants. PLoS Computational Biology
Journal Article
127 (4), pp. 1050 - 1062 (2023)
Surface Properties of N,N-Dimethylformamide-Water Mixtures, As Seen from Computer Simulations. The Journal of Physical Chemistry B