Unicore identifies single-copy protein structures across genomes using Foldseek, bypassing slow structure predictions by utilizing 3Di predictions from ProstT5, enabling rapid phylogenetic inference at the tree-of-life scale. 1/n
π www.biorxiv.org/content/10.1...
πΎ github.com/steineggerla...
23.12.2024 16:39 β π 121 π 57 π¬ 2 π 3
The age old "similar to putative function" annotation disease - only with AI, reinforcing suspect homology based matches in training data.
31.03.2025 12:05 β π 0 π 0 π¬ 0 π 0
Congratulations, I guess you will be spending more time in Heidelberg!
13.03.2025 19:57 β π 1 π 0 π¬ 0 π 0
I'm not sure why everyone is surprised by DeepSeek if you deny people access to the latest hardware then they will naturally develop more efficient algorithms. In this sense US "export" policy on AI hardware has been a massive own goal.
29.01.2025 08:54 β π 6 π 1 π¬ 1 π 0
Extent of microfibre pollution from textiles to be explored at new research hub
A newly established research hub in North East England will explore the extent and environmental impact of microfibre loss from textiles.
Designers and environmental scientists from Northumbria have teamed up with The Microfibre Consortium to establish the Fibre-fragmentation and Environment Research Hub (FibER Hub) to explore the extent and environmental impact of microfibre loss from textiles
www.northumbria.ac.uk/about-us/new...
22.01.2025 10:28 β π 12 π 2 π¬ 0 π 0
Star Trek The Next Generation scene. Early series Picard is shown up close with a determined look of contentment. He's locked into eye contact with someone just off screen, and smouldering. Closed caption reads: (champagne fizzing)
01.01.2025 04:59 β π 1304 π 271 π¬ 8 π 7
Comprehensive Analysis of SARS-CoV-2 Spike Evolution: Epitope Classification and Immune Escape Prediction
The evolution of SARS-CoV-2, the virus responsible for the COVID-19 pandemic, has produced unprecedented numbers of structures of the Spike protein. This study presents a comprehensive analysis of 1,560 published Spike protein structures, capturing most variants that emerged throughout the pandemic and covering diverse heteromerization and interacting complexes. We employ an interaction-energy informed geometric clustering to identify 14 epitopes characterized by their conformational specificity, shared interface with ACE2 binding, and glycosylation patterns. Our per-residue interaction evaluations accurately predict each residue's role in antibody recognition and as well as experimental measurements of immune escape, showing strong correlations with DMS data, thus making it possible to predict the behaviour of future variants. We integrate the structural analysis with a longitudinal analysis of nearly 3 million viral sequences. This broad-ranging structural and longitudinal analysis provides insight into the effect of specific mutations on the energetics of interactions and dynamics of the SARS-CoV-2 Spike protein during the course of the pandemic. Specifically, with the emergence of widespread immunity, we observe an enthalpic trade-off in which mutations in the receptor binding motif (RBM) that promote immune escape also weaken the interaction with ACE2. Additionally, we also observe a second mechanism, that we call entropic trade-off, in which mutations outside of the RBM contribute to decrease the occupancy of the open state of SARS-CoV-2 Spike, thus also contributing to immune escape at the expense of ACE2 binding but without changes on the ACE2 binding interface. This work not only highlights the role of mutations across SARS-CoV-2 Spike variants but also reveals the complex interplay of evolutionary forces shaping the evolution of the SARS-CoV-2 Spike protein over the course of the pandemic. ### Competing Interest Statement The authors have declared no competing interest.
and also our latest work, NatΓ‘lias latest preprint, a collaboration with the groups of
@mattbashton.bsky.social and Ricardo Rajsbaum is out in BioRxiv. www.biorxiv.org/content/10.1...
10.12.2024 12:02 β π 7 π 2 π¬ 1 π 0
I didn't have time to stop to play it, but it looks authentic, around the time it was current there were a lot of clone JAMA boards from Taiwan which had all sorts of unique enhancements like changing fighter mid match! Only they had 3x the PCB board count as reverse engineered all custom chips.
21.11.2024 15:32 β π 1 π 0 π¬ 1 π 0
20.11.2024 22:09 β π 1 π 0 π¬ 0 π 0
Nice to see this CPS-1, duel CPU 68000/Z80 set-up at #SC24, it's all about those custom chips too! #retrogaming
20.11.2024 21:32 β π 30 π 2 π¬ 1 π 1
who knew it would be easier to get everyone to switch social media platforms than getting them to use hg38
14.11.2024 18:45 β π 254 π 62 π¬ 15 π 13
Interestingly if we look at promiscuous superfamilies' (those binding multiple ligands) we find they can fall into "generalised" - binding a wide range of chemically diverse ligands or "specialised" - binding some very chemically similar ligands, categories.
14.11.2024 19:56 β π 2 π 1 π¬ 1 π 0
This the work of my PhD student Matt Crown, one of the nice things he did was this t-SNE plot of cognate ligand space within the PDB, in which we see some nice clusters of related compounds.
14.11.2024 19:56 β π 0 π 0 π¬ 1 π 0
ProCogGraph: a graph-based mapping of cognate ligand domain interactions
AbstractMotivation. Mappings of domain-cognate ligand interactions can enhance our understanding of the core concepts of evolution and be used to aid docki
Our latest work has been published in #Bioinformatics Advances ProCogGraph, the spiritual successor of PROCOGNATE. This graph database provides a linkage between proteins domains (SCOP/CATH/Pfam) and cognate ligands for #enzymes in the #PDB. academic.oup.com/bioinformati...
14.11.2024 19:56 β π 4 π 2 π¬ 1 π 0
After editing, this very short letter to New Scientist is even shorter now. But I think it gets the point across! @faecalmatters.bsky.social
11.11.2024 22:23 β π 120 π 34 π¬ 10 π 4
Zoomed out we see a small, lone shuttlecraft flying through a cloudy sky. Closed caption reads, "(screaming)"
06.11.2024 16:58 β π 8161 π 2232 π¬ 67 π 104
@suw.bsky.social @daivaughan.uk
This is perfection.
02.11.2024 18:05 β π 14 π 5 π¬ 2 π 0
I've had dengue. It was dintinctly unfun. If you needed another reason to do what you can to limit climate change, well this is a good excuse ...
www.npr.org/2024/10/22/n...
"LA is seeing cases of dengue, the range of which may be growing due to climate change"
23.10.2024 22:35 β π 51 π 18 π¬ 7 π 4
Global Healthcare Services Manager @ Hyland | Passionate about healthcare, digital health, AI & cloud | BSc, PRINCE2, MSP, L6Ο Green Belt | Opinions are my own | https://linktr.ee/paulcochrane
The Earth BioGenome Project (EBP), a moonshot for biology, aims to sequence, catalog, and characterize the genomes of all of Earth's eukaryotic biodiversity over a period of ten years.
π§π· Mathematics, Genetics & Mol. Biology
πΊπΈ Postdoc at Antunes's Lab
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π¨ Wet colours artist.
Scientist | Discovery of unsaturated fatty acids, LC-MS lipidomics, precision photochemistry, organic & macromolecular chemistry
Developing cutting-edge analytical platforms for comprehensive studies of biological systems. Specializing in ambient ionization mass spectrometry profiling, imaging, and real-time volatile organic compounds (VOCs) detection.
Executive Editor/Team Leader Open Access Science Journals Sage Publishing
Opinions = mine
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@elixir-europe.org Programme Manager for Scientific Computing, Tools, EOSC. Honorary Research Informatics, Astro @UniofLeicester. Lead @BRISSKit @redinformatics.bsky.social @OWLS_Trust Schools Trust
Synthetic Biology. Designer cells and organelles. Space plants and microbes. Antifungal. Antimicrobials. Optimization of DNA delivery: conjugation, cell fusion. Western University, Canada.
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Head of Bioinformatics at Broken String Biosciences.
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Still love microbial bioinformatics. Now working in the cell and gene therapy space. Keen Python and Nextflow coder
EMBL's European Bioinformatics Institute (EMBL-EBI) provides open biological data resources and tools, and performs basic research in computational biology. https://www.ebi.ac.uk/
The Royal Society is a Fellowship of the world's most eminent scientists and is the oldest scientific academy in continuous existence.
Co-Founder of @jumpingrivers.com
executive director, Invest in Open. cares a lot about governance + infrastructure. makes things out of clay.
Head of #Genomics Core Facility at NCL 𧬠Single-Cell 𧬠Spatial-Transcriptomics 𧬠Next-Generation Sequencing 𧬠MTBing π΅π»ββοΈ Dad & Husband π¨βπ©βπ§βπ¦ | β½π΄βͺ SAFC π« | π¦ own views.
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Computational biology and bioinformatics, artificial intelligence, tango and literature are some of my interests, CNRS - Bordeaux. Opinions are my own
BSc Public Health graduate and current MSc Public Health student at Liverpool John Moores University