Tareq Hameduh
@tareq146.bsky.social
* I am into protein science
, data science and philosophy of science.
* Post-doc (Structural Bioinformatics) / Mendel University, Brno - Czech Republic.
* Research interest: Proteins side chains and Rotamers.
, data science and philosophy of science.
* Post-doc (Structural Bioinformatics) / Mendel University, Brno - Czech Republic.
* Research interest: Proteins side chains and Rotamers.
Reposted by Tareq Hameduh
AlphaFold’s success builds on decades of tech advances, massive efforts to collect, curate, and share structural data, and rigorous benchmarking. What will it take to see a similar leap in structural ensemble prediction? @stephanieaw.bsky.social and I share some thoughts here 👇 Feedback is welcome!
Predicting macromolecular ensembles is incredibly promising. However, as no single experimental method can map a conformational ensemble’s full atomistic landscape, there are foundational questions: What exactly are we trying to predict, and how will we know when we have succeeded?
From Possibility to Precision in Macromolecular Ensemble Prediction
Proteins and other macromolecules do not exist in a single state but as dynamic ensembles of interconverting conformations, which are essential for functions such as catalysis, allosteric regulation, ...
arxiv.org
May 7, 2025 at 4:49 AM
AlphaFold’s success builds on decades of tech advances, massive efforts to collect, curate, and share structural data, and rigorous benchmarking. What will it take to see a similar leap in structural ensemble prediction? @stephanieaw.bsky.social and I share some thoughts here 👇 Feedback is welcome!
Our new published paper,
The proteomic code: Novel amino acid residue pairing models “encode” protein folding and protein-protein interactions:
www.sciencedirect.com/science/arti...
The proteomic code: Novel amino acid residue pairing models “encode” protein folding and protein-protein interactions:
www.sciencedirect.com/science/arti...
The proteomic code: Novel amino acid residue pairing models “encode” protein folding and protein-protein interactions
Recent advances in protein 3D structure prediction using deep learning have focused on the importance of amino acid residue-residue connections (i.e.,…
www.sciencedirect.com
March 19, 2025 at 3:58 PM
Our new published paper,
The proteomic code: Novel amino acid residue pairing models “encode” protein folding and protein-protein interactions:
www.sciencedirect.com/science/arti...
The proteomic code: Novel amino acid residue pairing models “encode” protein folding and protein-protein interactions:
www.sciencedirect.com/science/arti...