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I was curious so I checked what were the most read-about compounds in en-Wikipedia: obviously narcotics dominate the list. However, at 5k views/mo limonene is the most read, which is very peculiar... Any ideas? (data: github.com/matteoferla/Wi…)

thanks to everyone who helped with the study which includes GECIP team GeneDx Prof Amaka C Offiah Melita Irving Reza Maroofian Baylor Genetics NIHR Oxford Biomedical Research Centre and Matteo Ferla (sorry your lovely fig had to move to suppl)

And now we’re married! Matteo Ferla

At the NIHR Oxford Biomedical Research Centre open day. New t-shirts, new venue, same strawberry 🍓 dna demo

For anyone at #shef2023 last week, here are my slides github.com/matteoferla/Fr… and the interactive table of the follow-up compounds from the Covid Moonshot dataset results (michelanglo.sgc.ox.ac.uk/r/fragmenstein…)

PDB released 478 SARS-CoV-2 structures this week, including 466 mpros with inhibitors from the COVID Moonshot project. 966 have been released this year (shown), for 3826 total since the first CV19 structure was released in Feb 2020. Explore them all at rcsb.org/covid19

New & impressive Science Magazine Here's how you discover a potent new drug vs Covid 212 scientists/15 countries Open-science, patent free, high-throughput structural biology based design, #AI COVID Moonshot Melissa Boby Frank von Delft Daren Fearon science.org/doi/10.1126/sc…

The COVID Moonshot paper is out in Science: but can it help you as a compchem algo testset? Yes! All steps (frag to lead) crystallised & assayed, incl. negatives. Diverse methods, 4 series. Don't take my word, have a gander yourself: fragalysis.diamond.ac.uk/viewer/react/p…

Here's what I spent the last few years working on. Incredibly proud of the work done by all of the amazing scientists and volunteers who contributed, and optimistic for the future of open science drug discovery for globally equitable and affordable access: x.com/ScienceMagazin…

The incredible ASAP Discovery team members working with XChem collected 14,631 X-ray datasets and deposited 6.7% of all X-ray structures in the PDB for ASAP in 2023 to advance structure-based antiviral discovery--with hundreds more pending release. 🚀

Before the break I presented at the AViDD forum (asapdiscovery.org/forum/) for which I am very grateful for, but totally forgot to share the link: youtube.com/watch?v=kieDWY… (Title: Advancing Fragment-Based Drug Discovery in the ASAP Discovery consortium with Fragmenstein)

It took a while but it's here: the Fragmenstein preprint! chemrxiv.org/engage/chemrxi… A big thank-you to everyone who helped in its creation, especially user feedback!

If you are at #Fragments24 do check out poster 26 for in silico fragment elaborations!

Last month I attended RSC Fragments 2024, which was very interesting. Here are my take home concepts: blopig.com/blog/2024/04/r…

RFdiffusion is sometimes quirky, often infuriating, but most often fun. As a result, I wrote a long blogpost on how to manipulate and score RFdiffusion models in PyRosetta 📚🛠️blopig.com/blog/2024/05/p…

Generative models for molecular optimization & protein design often rely on data-driven guidance functions for conditional sample generation. Our new #ICML2024 paper presents a simple but effective approach to improve their performance in OOD settings. arxiv.org/abs/2407.11942

OPIG DPhil student Gemma Gordon led work to build and analyse "PLAbDab-nano: a database of camelid and shark nanobodies from patents and the literature". Just released on bioRxiv and available as an OPIG webapp: Preprint: biorxiv.org/content/10.110… Webapp: opig.stats.ox.ac.uk/webapps/plabda…

DPhil student Ollie Turnbull has built pIg-Gen, a language model for paired-chain antibody generation. It creates diverse, natural-like distributions of antibodies w/ similar biophysical properties to therapeutics. bioRxiv: biorxiv.org/content/10.110… Code: github.com/oxpig/p-IgGen

DPhil student Steph Wills has led efforts to expand catalogue searching via bioisosteric fragment merges, using a graph database approach. Preprint now available on the bioRxiv: biorxiv.org/content/10.110…

OPIGlets are out in force at #AIChem24, organised by our very own Garrett M. Morris DPhil students Lucy Vost, Arun Raja and Ísak Valsson are presenting posters, and Yael is giving a talk about her recent work MolSnapper on Wednesday! Please come and chat to them!