A Perspective discusses challenges in macromolecular ensemble prediction and the methodological advances that are needed. @stephanieaw.bsky.social
www.nature.com/articles/s41...
Check out our new review article on intrinsically disordered #microproteins now out in @acs.org Biochemistry!
pubs.acs.org/doi/10.1021/...
This Perspective discusses current challenges in macromolecular ensemble prediction and the infrastructure and methodological advances needed to overcome these barriers.
pubs.acs.org
Advances in genomics, proteomics, and bioinformatics have uncovered the existence of thousands of translated small open reading frames less than 100ā150 codons in length that encode microproteins. In ...
StruCloze: A Unified Framework for Backmapping and Inpainting Biomolecule Structures
doi.org/10.1021/acs....
Journal of Cell Biology
Streaming Molecular Dynamics Simulation Data for On-the-fly Processing and Analysis
arxiv.org/abs/2605.24271
Some very cool simulations, look at those little guys climb that ladder!
#MolecularNodes
I'm incredibly proud to share our paper on the preclinical evaluation of the BNT164 mRNA tuberculosis vaccine candidates.
Now online in the final version at Nature Immunology.
www.nature.com/articles/s41...
What would happen if Darwin, Russell Wallace and Koch walked into a bar?
We present our new way to study mycobacteria, employing a macroevolution framework (species not strains). Possibilities are endless!! Thanks to Fernanda Subtil for pushing this.
elifesciences.org/articles/101...
arxiv.org
Only a small fraction of the data generated in state-of-the-art all-atom multi-microsecond molecular dynamics (MD) simulations is typically analyzed. With femtosecond integration steps, microsecond si...
Using macroevolution, species not strains, uncovered important diversity in how mycobacteria respond to and resist antibiotics, revealing novel resistance determinants.
š Sponsorship opportunities still available
š Lyon, France | 14ā16 October 2026
Registration opening soon. Stay tuned for further announcements!
#CGML2026 #MachineLearning #MolecularModeling #CoarseGrained #DrugDiscovery #Formulations #MaterialsScience
Paulo C. T. Souza
Here the authors characterize mRNA-based tuberculosis vaccine candidates BNT164a1 and BNT164b1 and show that they are immunogenic, well tolerated and efficacious in preclinical animal models.
Excited to share this paper from @yiechanglin.bsky.social showing how lipids can move between bacterial membranes along the bridge like protein TamB. Also happy to be able to post the cool movie. š„š #MDsimulations #StructuralBiology doi.org/10.1016/j.bp...
