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Liam McGuffin

@liammcguffin.bsky.social
122 followers 161 following 8 posts

Professor of Bioinformatics at the University of Reading, developer of methods for protein structure and function prediction. www.reading.ac.uk/bioinf

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Reposted by Liam McGuffin
Torsten Schwede @torstenschwede.bsky.social · 13/03/2026
Is #AI hitting a plateau in structure prediction? Help us find out at CASP17! 🧪🧬 Calling for Targets: Immune Complexes, protein - ligand complexes, RNA/DNA, conformational ensembles, membrane proteins, viral origins, and large complexes. The Rule of Thumb: If AF3 can’t model it, we want it.
The Critical Assessment of Structure Prediction (CASP) experiment is calling for prediction targets: Immune Complexes, Organic Ligand-Protein Complexes, Nucleic Acids and Complexes, Conformational Ensembles, Difficult Protein Structures and Complexes. 
Rule of Thumb: If AlphaFold3 can generate a high-quality model, it is likely not a CASP-grade challenge. If it struggles, we want it.
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Reposted by Liam McGuffin
IntFOLD @intfold.bsky.social · 05/09/2025
Our paper on the performance of ModFOLDdock2 at #CASP16 onlinelibrary.wiley.com/doi/10.1002/...
onlinelibrary.wiley.com
Highlights of Model Quality Assessment in CASP16
Model quality assessment (MQA) remains a critical component of structural bioinformatics for both structure predictors and experimentalists seeking to use predictions for downstream applications. In ...
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Reposted by Liam McGuffin
IntFOLD @intfold.bsky.social · 05/08/2025
We used IntFOLD, and MultiFOLD to model interactions between Cx62 and calpain-1: "Inter-platelet communication driving thrombus formation is regulated by extracellular calpain-1 cleavage of connexin 62" | Haematologica haematologica.org/article/view...
haematologica.org
Inter-platelet communication driving thrombus formation is regulated by extracellular calpain-1 cleavage of connexin 62 | Haematologica
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Reposted by Liam McGuffin
IntFOLD @intfold.bsky.social · 09/07/2025
Our new paper has been published: Prediction and quality assessment of protein quaternary structure models using the MultiFOLD2 and ModFOLDdock2 servers url: academic.oup.com/nar/article/...
academic.oup.com
Prediction and quality assessment of protein quaternary structure models using the MultiFOLD2 and ModFOLDdock2 servers
Abstract. Understanding the structures of protein complexes is pivotal for breakthroughs in health, agriculture, bioengineering, and beyond. MultiFOLD2 and
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Reposted by Liam McGuffin
IntFOLD @intfold.bsky.social · 28/04/2025
Our new paper is out: Prediction and quality assessment of protein quaternary structure models using the MultiFOLD2 and ModFOLDdock2 servers academic.oup.com/nar/advance-...
academic.oup.com
Prediction and quality assessment of protein quaternary structure models using the MultiFOLD2 and ModFOLDdock2 servers
Abstract. Understanding the structures of protein complexes is pivotal for breakthroughs in health, agriculture, bioengineering, and beyond. MultiFOLD2 and
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Reposted by Liam McGuffin
Kirk @kirk-taylor.bsky.social · 07/03/2025
Pleased to share that our latest study has been published in Hematologica! @rdgplateletlabs.bsky.social pubmed.ncbi.nlm.nih.gov/40045892/
pubmed.ncbi.nlm.nih.gov
Inter-platelet communication driving thrombus formation is regulated by extracellular calpain-1 cleavage of connexin 62 - PubMed
Connexin (Cx) gap junction proteins are expressed by a multitude of cells and function as plasma membrane hemichannels or dock to form intercellular communication tunnels. Whilst Cx43 has garnered con...
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Reposted by Liam McGuffin
Peter Škrinjar @peterskrinjar.bsky.social · 08/02/2025
Excited to share our latest preprint evaluating AlphaFold3, Boltz-1, Chai-1 and Protenix for predicting protein-ligand interactions, featuring our newly introduced benchmark dataset 🌹Runs N’ Poses🌹! www.biorxiv.org/content/10.1... 🧵👇 (1/n)
biorxiv.org
Have protein-ligand co-folding methods moved beyond memorisation?
Deep learning has driven major breakthroughs in protein structure prediction, however the next critical advance is accurately predicting how proteins interact with other molecules, especially small mo...
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Reposted by Liam McGuffin
Marc Lensink @marclensink.bsky.social · 20/12/2024
CASP16 group picture - in Punta Cana
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Liam McGuffin @liammcguffin.bsky.social · 12/12/2024
Our MultiFOLD2 server is also now freely available to all. It's the top-ranked server on the hardest domain targets in #CASP16 by GDT_TS. With integrated stoichiometry prediction it outperforms AF3 on common multimer subsets in CAMEO. www.reading.ac.uk/bioinf/Multi...
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Liam McGuffin @liammcguffin.bsky.social · 11/12/2024
The ModFOLDdock2 server is now online and freely available to all. The ModFOLDdock2 variants ranked within the top few groups at #CASP16 in QMODE1/2 metrics. ModFOLDdock2 is the best method for predicting the interface accuracy of modelled protein complexes. www.reading.ac.uk/bioinf/ModFO...
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Liam McGuffin @liammcguffin.bsky.social · 03/12/2024
ModFOLDdock2 is the top ranked method for predicting the interface accuracy of modelled protein complexes #CASP16. The server is available here: www.reading.ac.uk/bioinf/ModFO...
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Liam McGuffin @liammcguffin.bsky.social · 03/12/2024
My group members, Shaima and @recep44.bsky.social, presented their posters on MultiFOLD2 for multimer modelling and FunFOLD5 for predicting protein-ligand interactions at #CASP16. Lots of interest and positive feedback!
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Liam McGuffin @liammcguffin.bsky.social · 03/12/2024
Yesterday at #CASP16 I presented our new ModFOLDdock2 servers for the quality assessment of multimer models. It's great to see progress in the field but there are still many challenges ahead!
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