Baker Lab @ Notre Dame

@nd-bakerlab.bsky.social

Structural and molecular immunology and protein biophysics at the University of Notre Dame. T cell receptors, MHC proteins, specificity, and cross-reactivity. Plus drums, odd time signatures, Iron Maiden, and much Rush. Opinions mine alone. bmblab.nd.edu

New work from the lab showing how micropolymorphisms in HLA superfamilies can dramatically impact TCR specificity, even in the absence of changes to static structure or peptide binding. The secret's in how the peptides move around - or not, in the case of A0302 vs A0301. www.pnas.org/doi/full/10....

PNAS

Proceedings of the National Academy of Sciences (PNAS), a peer reviewed journal of the National Academy of Sciences (NAS) - an authoritative source of high-impact, original research that broadly spans...

pnas.org

Huge congratulations to Chukwunalu "Chuks" Chukwuma for successfully defending his PhD thesis on interrogating the specificity of alloreactive T cells and the implications for organ transplant rejection! Another newly minted structural immunologist setting out to make the world a better place.

Soon to be former graduate student Chuks celebrating the wildly successful defense of his PhD thesis studying the specificity of alloreactive T cells with a bottle of champagne.

Lab people: "Hey, look at all these cool AI models, AlphaFold, Chai, Boltz, gazillion models per week, blah blah, cool new relationships, experiments schmeriments." Me, looking at one model: "Huh, arginine and tyrosine in the same volume of space, right where the receptor would sit. Nifty." Sigh.

New preprint! Entropy drives molecular recognition, yet most structure-based drug design ignores it because it is difficult to measure. X-ray crystallography captures ensembles, not single structures. Can we extract thermodynamically meaningful entropy from them? www.biorxiv.org/content/10.1...

Crystallographic Ensembles Reveal the Structural Basis of Binding Entropy in SARS-CoV2 Macrodomain

Structure-based drug design has traditionally focused on optimizing static, enthalpic interactions between ligands and proteins or on displacing binding site solvent molecules to entropically favor bi...

biorxiv.org

Some thoughts on #Rush touring with a surprising choice of the super talented Anika Nilles for a drummer, instead of some of the bigger names that have been thrown around by everybody but Alex and Geddy over the years. Neil Peart of course eschewed the limelight.