New preprint from our lab: We investigate how Gromov-Wasserstein couplings can be applied to protein structure alignment and analysis, with fascinating results. Fantatisc work by Elijah Gunther! www.biorxiv.org/content/10.1... #ProteinStructure #MetricGeometry
Exploring the Structural Lexicon of the Proteome via Metric Geometry
The three-dimensional structure of proteins is intimately linked to their function, yet establishing comprehensive frameworks for systematically comparing and organizing protein structures across the ...
www.biorxiv.org
November 10, 2025 at 1:27 AM
New preprint from our lab: We investigate how Gromov-Wasserstein couplings can be applied to protein structure alignment and analysis, with fascinating results. Fantatisc work by Elijah Gunther! www.biorxiv.org/content/10.1... #ProteinStructure #MetricGeometry
The new DSSP version 4 uses mmCIF as its primary format and extends secondary structure detection to include left-handed polyproline II (κ) helices, common motifs that contribute to protein folding and stability.
Full announcement: www.ebi.ac.uk/pdbe/news/pd...
#PDBe #DSSP #ProteinStructure
Full announcement: www.ebi.ac.uk/pdbe/news/pd...
#PDBe #DSSP #ProteinStructure
PDBe adopts the new DSSP for protein secondary structure annotation | Protein Data Bank in Europe
Advanced Search
www.ebi.ac.uk
October 30, 2025 at 4:22 PM
The new DSSP version 4 uses mmCIF as its primary format and extends secondary structure detection to include left-handed polyproline II (κ) helices, common motifs that contribute to protein folding and stability.
Full announcement: www.ebi.ac.uk/pdbe/news/pd...
#PDBe #DSSP #ProteinStructure
Full announcement: www.ebi.ac.uk/pdbe/news/pd...
#PDBe #DSSP #ProteinStructure
The protein structure problem: solving life’s origami #Science #Biology #MolecularBiology #ProteinStructure #LifeScience
The protein structure problem: solving life’s origami
The artificial intelligence program AlphaFold is proving to be a gamechanger for biological research, Imma Perfetto reports. This article was originally published in the Cosmos Print Magazine, September...
purescience.news
October 11, 2025 at 8:00 AM
The protein structure problem: solving life’s origami #Science #Biology #MolecularBiology #ProteinStructure #LifeScience
"Exciting news! A new hybrid quantum and deep learning framework enhances protein structure prediction accuracy, potentially transforming drug discovery and disease understanding. Curious about its impact? #QuantumComputing #DeepLearning #ProteinStructure" LINK
October 10, 2025 at 2:11 PM
"Exciting news! A new hybrid quantum and deep learning framework enhances protein structure prediction accuracy, potentially transforming drug discovery and disease understanding. Curious about its impact? #QuantumComputing #DeepLearning #ProteinStructure" LINK
🧬 New paper out from our Computational Molecular Systems Biology team at @UGSF-lille !
Proud to have contributed to the CAPRI 8 challenge
🔗 Read it here: onlinelibrary.wiley.com/doi/10.1002/...
#CAPRI8 #AlphaFold #ProteinStructure #StructuralBiology #AIinBiology #Bioinformatics #UGSF
Proud to have contributed to the CAPRI 8 challenge
🔗 Read it here: onlinelibrary.wiley.com/doi/10.1002/...
#CAPRI8 #AlphaFold #ProteinStructure #StructuralBiology #AIinBiology #Bioinformatics #UGSF
Biomolecular Interaction Prediction in the Pre‐ and Post‐AlphaFold Era: The 8th CAPRI Evaluation
We report on the 8th CAPRI Evaluation period, capturing the assessment of CAPRI Rounds 47 to 55 (excluding the CASP and COVID-related Rounds), which have witnessed the transition to AI-driven predict...
onlinelibrary.wiley.com
October 6, 2025 at 11:47 AM
🧬 New paper out from our Computational Molecular Systems Biology team at @UGSF-lille !
Proud to have contributed to the CAPRI 8 challenge
🔗 Read it here: onlinelibrary.wiley.com/doi/10.1002/...
#CAPRI8 #AlphaFold #ProteinStructure #StructuralBiology #AIinBiology #Bioinformatics #UGSF
Proud to have contributed to the CAPRI 8 challenge
🔗 Read it here: onlinelibrary.wiley.com/doi/10.1002/...
#CAPRI8 #AlphaFold #ProteinStructure #StructuralBiology #AIinBiology #Bioinformatics #UGSF
A recent study explores this challenge, highlighting the importance of computational methods for protein folding prediction. Read more at https://ieeexplore.ieee.org/abstract/document/6726753/ #Bioinformatics #ProteinStructure
September 29, 2025 at 9:12 PM
A recent study explores this challenge, highlighting the importance of computational methods for protein folding prediction. Read more at https://ieeexplore.ieee.org/abstract/document/6726753/ #Bioinformatics #ProteinStructure
"What if we could unlock the secrets of complex proteins? A hybrid quantum-classical approach predicts 3D structures of large proteins, paving the way for breakthroughs in drug development. How will this change medicine's future? Share your thoughts! #ProteinStructure #QuantumComputing #Heal... LINK
September 25, 2025 at 1:51 PM
"What if we could unlock the secrets of complex proteins? A hybrid quantum-classical approach predicts 3D structures of large proteins, paving the way for breakthroughs in drug development. How will this change medicine's future? Share your thoughts! #ProteinStructure #QuantumComputing #Heal... LINK
📝 Online now - the Review "Decoding protein structures with residue interaction networks" from Silvio Tosatto et al.
#RIN #ProteinStructure #ResidueCentrality #Allosterism #ArtificialIntelligence
Read it here: authors.elsevier.com/sd/article/S...
#RIN #ProteinStructure #ResidueCentrality #Allosterism #ArtificialIntelligence
Read it here: authors.elsevier.com/sd/article/S...
September 15, 2025 at 3:51 PM
📝 Online now - the Review "Decoding protein structures with residue interaction networks" from Silvio Tosatto et al.
#RIN #ProteinStructure #ResidueCentrality #Allosterism #ArtificialIntelligence
Read it here: authors.elsevier.com/sd/article/S...
#RIN #ProteinStructure #ResidueCentrality #Allosterism #ArtificialIntelligence
Read it here: authors.elsevier.com/sd/article/S...
NALCN/Cch1 channelosome subunits originated in early eukaryotes. New study from Adriano Senatore @utoronto.ca and colleagues: rupress.org/jgp/article/...
#Lipids #membranes #MolecularPhysiology #ProteinStructure #ProteinDynamics #CellBiology #Evolution #IonChannels
#Lipids #membranes #MolecularPhysiology #ProteinStructure #ProteinDynamics #CellBiology #Evolution #IonChannels
September 12, 2025 at 2:15 PM
NALCN/Cch1 channelosome subunits originated in early eukaryotes. New study from Adriano Senatore @utoronto.ca and colleagues: rupress.org/jgp/article/...
#Lipids #membranes #MolecularPhysiology #ProteinStructure #ProteinDynamics #CellBiology #Evolution #IonChannels
#Lipids #membranes #MolecularPhysiology #ProteinStructure #ProteinDynamics #CellBiology #Evolution #IonChannels
6/12 Critical difference: The same mutations (N236K/Q238L) in wild-type H5N1 don't switch receptor specificity.
Only in B3.13 strain do these mutations enable human receptor binding. The conformational context matters enormously.
#ProteinStructure
Only in B3.13 strain do these mutations enable human receptor binding. The conformational context matters enormously.
#ProteinStructure
August 26, 2025 at 2:56 PM
6/12 Critical difference: The same mutations (N236K/Q238L) in wild-type H5N1 don't switch receptor specificity.
Only in B3.13 strain do these mutations enable human receptor binding. The conformational context matters enormously.
#ProteinStructure
Only in B3.13 strain do these mutations enable human receptor binding. The conformational context matters enormously.
#ProteinStructure
I am excited to introduce our new @EvolLetters paper that has just come out:
https://academic.oup.com/evlett/advance-article/doi/10.1093/evlett/qraf026/8223096
🧵1/7
https://academic.oup.com/evlett/advance-article/doi/10.1093/evlett/qraf026/8223096
🧵1/7
August 6, 2025 at 5:09 PM
I am excited to introduce our new @EvolLetters paper that has just come out:
https://academic.oup.com/evlett/advance-article/doi/10.1093/evlett/qraf026/8223096
🧵1/7
https://academic.oup.com/evlett/advance-article/doi/10.1093/evlett/qraf026/8223096
🧵1/7
Allosteric and Energetic Remodeling by Protein Domain Extensions
Faure, A., Hidalgo-Carcedo, C. et al.
Paper
Details
#ProteinStructure #AllostericRegulation #BiochemistryResearch
Faure, A., Hidalgo-Carcedo, C. et al.
Paper
Details
#ProteinStructure #AllostericRegulation #BiochemistryResearch
July 30, 2025 at 4:01 PM
Allosteric and Energetic Remodeling by Protein Domain Extensions
Faure, A., Hidalgo-Carcedo, C. et al.
Paper
Details
#ProteinStructure #AllostericRegulation #BiochemistryResearch
Faure, A., Hidalgo-Carcedo, C. et al.
Paper
Details
#ProteinStructure #AllostericRegulation #BiochemistryResearch
Learn about #AI tools in #protein #science, including design and engineering, at the EMBO Practical Course "AI for protein design" in Puerto Varas, Chile, 3–9 November 2025
Deadline: 1 August
meetings.embo.org/event/25-ai-...
#EMBOaiProteinDesign #research #training #ProteinStructure #EMBOevents 🧪
Deadline: 1 August
meetings.embo.org/event/25-ai-...
#EMBOaiProteinDesign #research #training #ProteinStructure #EMBOevents 🧪
AI for protein design
In the last 5 years, the scientific community has witnessed the development of several AI-based tools for groundbreaking advances in protein science. These tools have enabled scientists to predict pr…
meetings.embo.org
July 30, 2025 at 9:04 AM
Learn about #AI tools in #protein #science, including design and engineering, at the EMBO Practical Course "AI for protein design" in Puerto Varas, Chile, 3–9 November 2025
Deadline: 1 August
meetings.embo.org/event/25-ai-...
#EMBOaiProteinDesign #research #training #ProteinStructure #EMBOevents 🧪
Deadline: 1 August
meetings.embo.org/event/25-ai-...
#EMBOaiProteinDesign #research #training #ProteinStructure #EMBOevents 🧪
Enzymes, geometry, and big data in Liverpool!
@rhackett.bsky.social presented his project at #ISMBECCB2025, showcasing matching of catalytic motifs for enzyme function prediction.
#StructuralBioinformatics #EnzymeFunction #CatalyticMotifs
#ProteinStructure #EMBL #LUMC
@rhackett.bsky.social presented his project at #ISMBECCB2025, showcasing matching of catalytic motifs for enzyme function prediction.
#StructuralBioinformatics #EnzymeFunction #CatalyticMotifs
#ProteinStructure #EMBL #LUMC
July 22, 2025 at 4:09 PM
Enzymes, geometry, and big data in Liverpool!
@rhackett.bsky.social presented his project at #ISMBECCB2025, showcasing matching of catalytic motifs for enzyme function prediction.
#StructuralBioinformatics #EnzymeFunction #CatalyticMotifs
#ProteinStructure #EMBL #LUMC
@rhackett.bsky.social presented his project at #ISMBECCB2025, showcasing matching of catalytic motifs for enzyme function prediction.
#StructuralBioinformatics #EnzymeFunction #CatalyticMotifs
#ProteinStructure #EMBL #LUMC
#BOSC2025 keynote speaker Christine Orengo shared insights from the development of TED and CATH (which just hit its 30th birthday!). #ProteinStructure #ISMBECCB2025
July 21, 2025 at 1:48 PM
#BOSC2025 keynote speaker Christine Orengo shared insights from the development of TED and CATH (which just hit its 30th birthday!). #ProteinStructure #ISMBECCB2025
Learn about #AI tools in #protein #science, including design and engineering, at the EMBO Practical Course "AI for protein design" in Puerto Varas, Chile, 3–9 November 2025.
Deadline: 1 August
meetings.embo.org/event/25-ai-...
#LifeSciences #research #training #ProteinStructure #EMBOevents 🧪
Deadline: 1 August
meetings.embo.org/event/25-ai-...
#LifeSciences #research #training #ProteinStructure #EMBOevents 🧪
AI for protein design
In the last 5 years, the scientific community has witnessed the development of several AI-based tools for groundbreaking advances in protein science. These tools have enabled scientists to predict pr…
meetings.embo.org
July 7, 2025 at 12:07 PM
Learn about #AI tools in #protein #science, including design and engineering, at the EMBO Practical Course "AI for protein design" in Puerto Varas, Chile, 3–9 November 2025.
Deadline: 1 August
meetings.embo.org/event/25-ai-...
#LifeSciences #research #training #ProteinStructure #EMBOevents 🧪
Deadline: 1 August
meetings.embo.org/event/25-ai-...
#LifeSciences #research #training #ProteinStructure #EMBOevents 🧪
Amino acid exchangeability and surface accessibility underpin the effects of single substitutions
Alpay, B. A., Desai, M. M. et al.
Paper
Details
#AminoAcidSubstitutions #ProteinStructure #BiochemistryResearch
Alpay, B. A., Desai, M. M. et al.
Paper
Details
#AminoAcidSubstitutions #ProteinStructure #BiochemistryResearch
June 20, 2025 at 9:02 AM
Amino acid exchangeability and surface accessibility underpin the effects of single substitutions
Alpay, B. A., Desai, M. M. et al.
Paper
Details
#AminoAcidSubstitutions #ProteinStructure #BiochemistryResearch
Alpay, B. A., Desai, M. M. et al.
Paper
Details
#AminoAcidSubstitutions #ProteinStructure #BiochemistryResearch
#MolecularDynamics simulation of GJC2 mutants reveal pathogenic mechanisms of PMLD1 & SPG44. New study from David Gong, Charles Abrams (University of Illinois Chicago) et al: rupress.org/jgp/article/...
@jennoligomyelin.bsky.social
#ProteinStructure #Pathophysiology #ComputationalBiology #Connexins
@jennoligomyelin.bsky.social
#ProteinStructure #Pathophysiology #ComputationalBiology #Connexins
June 17, 2025 at 3:16 PM
#MolecularDynamics simulation of GJC2 mutants reveal pathogenic mechanisms of PMLD1 & SPG44. New study from David Gong, Charles Abrams (University of Illinois Chicago) et al: rupress.org/jgp/article/...
@jennoligomyelin.bsky.social
#ProteinStructure #Pathophysiology #ComputationalBiology #Connexins
@jennoligomyelin.bsky.social
#ProteinStructure #Pathophysiology #ComputationalBiology #Connexins
Why is leadership in structural biology so important? Mark Hargrove shows us how impactful it can be.
www.asbmb.org/asbmb-...
#SciComm #StructuralBiology #ASBMBmemberNews #XRayCrystallography #ProteinStructure
www.asbmb.org/asbmb-...
#SciComm #StructuralBiology #ASBMBmemberNews #XRayCrystallography #ProteinStructure
Hargrove recognized for leadership
By tracking protein changes in stem cell–derived heart cells, researchers from Cedars-Sinai uncovered surprising diversity that could reshape how we study and treat heart disease. Read more about this recent Molecular & Cellular Proteomics article.
www.asbmb.org
June 16, 2025 at 8:16 PM
Why is leadership in structural biology so important? Mark Hargrove shows us how impactful it can be.
www.asbmb.org/asbmb-...
#SciComm #StructuralBiology #ASBMBmemberNews #XRayCrystallography #ProteinStructure
www.asbmb.org/asbmb-...
#SciComm #StructuralBiology #ASBMBmemberNews #XRayCrystallography #ProteinStructure
An overlooked bonding motif appears in many more proteins than was previously realised #Science #Biology #MolecularBiology #ProteinStructure #BiologicalResearch
An overlooked bonding motif appears in many more proteins than was previously realised
Covalent nitrogen–oxygen–sulfur linkages could be a new target for potential drugs
purescience.news
June 11, 2025 at 12:30 PM
An overlooked bonding motif appears in many more proteins than was previously realised #Science #Biology #MolecularBiology #ProteinStructure #BiologicalResearch
Disruption of a side portal pathway permits closed-state inactivation by BK β subunit N-termini, say Yu Zhou, Xiao-Ming Xia, and Christopher Lingle @washumedicine.bsky.social: rupress.org/jgp/article/...
#Biophysics #ProteinStructure #ProteinDynamics #MolecularPhysiology #IonChannels #BKChannels
#Biophysics #ProteinStructure #ProteinDynamics #MolecularPhysiology #IonChannels #BKChannels
June 6, 2025 at 2:47 PM
Disruption of a side portal pathway permits closed-state inactivation by BK β subunit N-termini, say Yu Zhou, Xiao-Ming Xia, and Christopher Lingle @washumedicine.bsky.social: rupress.org/jgp/article/...
#Biophysics #ProteinStructure #ProteinDynamics #MolecularPhysiology #IonChannels #BKChannels
#Biophysics #ProteinStructure #ProteinDynamics #MolecularPhysiology #IonChannels #BKChannels
This breakthrough could transform drug discovery, personalized medicine, and our understanding of biology, making complex protein functions accessible for everyday applications. #Bioinformatics #ProteinStructure
June 4, 2025 at 3:47 PM
This breakthrough could transform drug discovery, personalized medicine, and our understanding of biology, making complex protein functions accessible for everyday applications. #Bioinformatics #ProteinStructure
📢 CALL FOR PAPERS 📢
Submit to this #SpecialIssue led by Deputy EIC Vladimir Yarov-Yarovoy @vyy-sf.bsky.social focusing on:
💉Precision medicine
🏠Structural biology
🧬Protein structure
🔄Protein dynamics
🖊️Biomarkers
🔗 www.sciencedirect.com/special-issu...
#proteinstructure #PrecisionMedicine
Submit to this #SpecialIssue led by Deputy EIC Vladimir Yarov-Yarovoy @vyy-sf.bsky.social focusing on:
💉Precision medicine
🏠Structural biology
🧬Protein structure
🔄Protein dynamics
🖊️Biomarkers
🔗 www.sciencedirect.com/special-issu...
#proteinstructure #PrecisionMedicine
June 3, 2025 at 11:28 AM
📢 CALL FOR PAPERS 📢
Submit to this #SpecialIssue led by Deputy EIC Vladimir Yarov-Yarovoy @vyy-sf.bsky.social focusing on:
💉Precision medicine
🏠Structural biology
🧬Protein structure
🔄Protein dynamics
🖊️Biomarkers
🔗 www.sciencedirect.com/special-issu...
#proteinstructure #PrecisionMedicine
Submit to this #SpecialIssue led by Deputy EIC Vladimir Yarov-Yarovoy @vyy-sf.bsky.social focusing on:
💉Precision medicine
🏠Structural biology
🧬Protein structure
🔄Protein dynamics
🖊️Biomarkers
🔗 www.sciencedirect.com/special-issu...
#proteinstructure #PrecisionMedicine
Last week to apply! #PhD #Chromatin #StemCells #ProteinStructure #Enhancers #Transcription #LineageCommitment
Funded PhD Studentship available in my lab at @lsiexeter.bsky.social.
Want to study how chromatin remodellers act on enhancers to facilitate cell fate decisions in human pluripotent cells? Want to work and live in a lively city by the sea? Get in touch/Apply!
lsi.exeter.ac.uk/groups/hendr...
Want to study how chromatin remodellers act on enhancers to facilitate cell fate decisions in human pluripotent cells? Want to work and live in a lively city by the sea? Get in touch/Apply!
lsi.exeter.ac.uk/groups/hendr...
Hendrich Group - Starting Sept 2025 - Living Systems Institute - University of Exeter
Opportunity for LSI PHD studentship – starting in September 2025 or January 2026 PhD Studentship applications will open on 1st...
lsi.exeter.ac.uk
June 2, 2025 at 9:18 AM
Last week to apply! #PhD #Chromatin #StemCells #ProteinStructure #Enhancers #Transcription #LineageCommitment