Nature Computational Science

natcomputsci.nature.com

26 August 2025 16:12

🚨Our August issue is now live and includes research on antibody-antigen binding, molecular screening for zeolite synthesis, psychological experiments with LLMs, and much more! www.nature.com/natcomputsci...

Nature Computational Science

natcomputsci.nature.com

09 July 2025 16:18

Out now! @alissahummer.com @opig.stats.ox.ac.uk and colleagues present Graphinity, a method to predict change in antibody-antigen binding affinity (∆∆G). Also featuring synthetic datasets of ~1 million FoldX-generated and >20,000 Rosetta Flex ddG-generated ∆∆G values! www.nature.com/articles/s43...

Josh Dickerson

joshdcryoem.bsky.social

09 July 2025 16:12

Check out our recent review discussing the merits of tilt series vs single micrographs for in situ cryo-EM! www.sciencedirect.com/science/arti...

Rachael Kretsch

rachael-kretsch.bsky.social

04 June 2025 20:50

When I determed OLE's structure, a transmembrane RNP was staring at me. Took a little bravery to propose this in our manuscript, so I am stoked to see the experts elaborate further. Past data does not rule out OLE RNA spanning the membrane, but data is still needed. Excited for future OLE studies!

Rachael Kretsch

rachael-kretsch.bsky.social

22 May 2025 16:08

What is the status of nucleic acid structure prediction? Our analysis of CASP16 (doi.org/10.1101/2025...) reveals human expertise is still necessary for the most accurate prediction, but accuracy still heavily relies on templates; having seen a similar structure already.