Erik Lindahl

TL;DR: The third major release of RELION as mentioned in this paper has been added in addition to GPU support, which provides flexibility in use of resources and avoids memory limitations Reference-free autopicking with Laplacian-of-Gaussian filtering and execution of jobs from python allows non-interactive processing during acquisition, including 2D-classification, de novo model generation and 3D classification Per-particle refinement of CTF parameters and correction of estimated beam tilt provides higher-resolution reconstructions when particles are at different heights in the ice, and/or coma-free alignment has not

TL;DR: Ethanol appears to stabilize the GlyR model built on a presumably open form of the ligand-gated channel, which could help explain the effects of allosteric ligand binding in Cys-loop receptors.

TL;DR: This work shows that it is possible to improve performance significantly by restricting the learning space to a specific context, in this case membrane proteins, and shows that the combination of ProQM and the Rosetta low-resolution energy function achieve a 7-fold enrichment in selection of near-native structural models, at very limited computational cost.

TL;DR: All-atom normal modes calculated with the Elastic Network Model are used as a basis set to model structural flexibility during formation of macromolecular complexes and refine the non-bonded intermolecular energy between the two partners (protein–ligand or protein–DNA) along 5–10 of the lowest frequency normal mode directions.

TL;DR: It is found that lipid charge is important to stabilize charged amino acids inside the bilayer (with implications, e.g., for ion channels), that thicker bilayers have higher solvation costs for hydrophilic side chains, and that headgroup hydrogen bond strength determines how adaptive the lipids are as a hydrophobic/hydrophilic solvent.