John P. Overington
@jpoverington.bsky.social
Work at drughunter.com - Drug Discovery, Data Science, Cheminformatics, Computational Medicinal Chemistry, Drug Repositioning, Structural Bioinformatics, CADD, SaaS, DaaS, AI/ML https://scholar.google.com/citations?user=52VMFeYAAAAJ
Apparently it’s 48 years ago since New Boots and Panties was released. A true classic album, survived the test of time for sure!
September 30, 2025 at 9:57 PM
Apparently it’s 48 years ago since New Boots and Panties was released. A true classic album, survived the test of time for sure!
For self conscious pseudo-intellectual teenagers from post-industrial Britain in the 1980s this is big news. For the rest of the world - nothing to see here.
September 26, 2025 at 5:03 PM
For self conscious pseudo-intellectual teenagers from post-industrial Britain in the 1980s this is big news. For the rest of the world - nothing to see here.
Reposted by John P. Overington
I finished my estimate on required compute to make an atomic-resolution virtual cell: 10^38 FLOPs to simulate a human cell for 1 day. We should be able to do this simulation in 2074 using 200 TW of power. 1/3
September 26, 2025 at 3:19 PM
I finished my estimate on required compute to make an atomic-resolution virtual cell: 10^38 FLOPs to simulate a human cell for 1 day. We should be able to do this simulation in 2074 using 200 TW of power. 1/3
Nostalgia ain’t what it used to be. Just found a microfiche. Big stack of these. If only I had the reader. I bet they’re museum pieces now.
September 7, 2025 at 7:20 PM
Nostalgia ain’t what it used to be. Just found a microfiche. Big stack of these. If only I had the reader. I bet they’re museum pieces now.
Just sorting through some old files.
Really fun to step back in time. This must have been 1988 or so. Acetates, permanent markers. None of your AI assistants in putting this together. And it shows 😂😂
Really fun to step back in time. This must have been 1988 or so. Acetates, permanent markers. None of your AI assistants in putting this together. And it shows 😂😂
September 7, 2025 at 7:13 PM
Just sorting through some old files.
Really fun to step back in time. This must have been 1988 or so. Acetates, permanent markers. None of your AI assistants in putting this together. And it shows 😂😂
Really fun to step back in time. This must have been 1988 or so. Acetates, permanent markers. None of your AI assistants in putting this together. And it shows 😂😂
As a Brit expat in the States, it’s sad to see that access to the BBC News website is now paywalled. $90 a year!
September 1, 2025 at 3:27 PM
As a Brit expat in the States, it’s sad to see that access to the BBC News website is now paywalled. $90 a year!
It’s August in our home, and that means getting ready for Halloween!! The theme this year (apparently) is Labyrinth - here is David Bowie.
August 22, 2025 at 7:47 PM
It’s August in our home, and that means getting ready for Halloween!! The theme this year (apparently) is Labyrinth - here is David Bowie.
A sort of nerdy question around licenses. Imagine I subscribe to a journal in which they don’t allow text mining on the content. Seems fair. But if is store the pdf locally, then my Mac will index it and allow full text searching. Does this count as text mining?
August 14, 2025 at 5:14 PM
A sort of nerdy question around licenses. Imagine I subscribe to a journal in which they don’t allow text mining on the content. Seems fair. But if is store the pdf locally, then my Mac will index it and allow full text searching. Does this count as text mining?
Getting frustrated with the number of resources that disappear, change terms of use, etc. Seems cheeky that people publish in places like NAR Database with an 'open' resource, then flip to closed. Tempted to put together a table of all the NAR DB resources and plot existence/current license....
August 5, 2025 at 3:55 PM
Getting frustrated with the number of resources that disappear, change terms of use, etc. Seems cheeky that people publish in places like NAR Database with an 'open' resource, then flip to closed. Tempted to put together a table of all the NAR DB resources and plot existence/current license....
And while I’m thinking of Nature, their typography has gone downhill. The spacing between words in titles is now atrocious! Defense against OCR LLM tokenization or just poor visual design? 🤣
July 20, 2025 at 6:07 PM
And while I’m thinking of Nature, their typography has gone downhill. The spacing between words in titles is now atrocious! Defense against OCR LLM tokenization or just poor visual design? 🤣
Bit of an insult for Nature magazine in the Google response to asking if fake patents and fake publications are different.
July 20, 2025 at 5:03 PM
Bit of an insult for Nature magazine in the Google response to asking if fake patents and fake publications are different.
Reposted by John P. Overington
The times they are a changin’.
Transitioning to PDBx/mmCIF and Extended PDB IDs
PDB users are strongly encouraged to make changes to software; use the full 12-character ID in all communications; and encourage others to adopt ASAP
Details at wwPDB: www.wwpdb.org/news/n...
PDB users are strongly encouraged to make changes to software; use the full 12-character ID in all communications; and encourage others to adopt ASAP
Details at wwPDB: www.wwpdb.org/news/n...
July 16, 2025 at 5:04 PM
The times they are a changin’.
Reposted by John P. Overington
CASP is the main reason the protein structure prediction technology and research field advanced over the last 30 years. And the main reason AI based methods have been accepted and widely applied in biology. So shortsighted of NIH to postpone or even halt funding. John Moult is a scientific hero.
Exclusive: An international scientific competition widely credited with spurring the development of artificial intelligence for biology appears to be on its deathbed. scim.ag/44ukS90
Exclusive: Famed protein structure competition nears end as NIH grant money runs out
Agency silent on funding renewal for contest that inspired creation of AIs that predicted how proteins would fold
scim.ag
July 2, 2025 at 10:36 PM
CASP is the main reason the protein structure prediction technology and research field advanced over the last 30 years. And the main reason AI based methods have been accepted and widely applied in biology. So shortsighted of NIH to postpone or even halt funding. John Moult is a scientific hero.
That's it. It's done. I am no longer on the other place. I'm going to miss some of the science on there, and in particular the biotech analyst community seems stuck there, but enough was enough. It had to go.
July 1, 2025 at 11:31 AM
That's it. It's done. I am no longer on the other place. I'm going to miss some of the science on there, and in particular the biotech analyst community seems stuck there, but enough was enough. It had to go.
Is there anywhere online a free lexicon for alternate spelling of scientific terms between US and UK English. Something that contains the equivalence of sulphotransferase = sulfotransferase, protease = proteinase, etc. But also smart to know that synthase and synthetase are different concepts.
July 1, 2025 at 11:20 AM
Is there anywhere online a free lexicon for alternate spelling of scientific terms between US and UK English. Something that contains the equivalence of sulphotransferase = sulfotransferase, protease = proteinase, etc. But also smart to know that synthase and synthetase are different concepts.
UI oddity of the day - a box to ask if I'm human, which looks like the only option I have is to click to say no, turns out it's a slider hiding as a tick box.
July 1, 2025 at 11:10 AM
UI oddity of the day - a box to ask if I'm human, which looks like the only option I have is to click to say no, turns out it's a slider hiding as a tick box.
It’s my son’s birthday, so we are at a Metallica concert.
June 14, 2025 at 10:33 PM
It’s my son’s birthday, so we are at a Metallica concert.
Anyone interested in some paid freelance writing on AI in drug discovery for drughunter.com - if so get in touch for more details !
Drug Hunter - drug discovery, distilled
Drug Hunter is for drug discovery scientists who want to discover new ideas but don't have time to read everything.
drughunter.com
June 6, 2025 at 1:45 PM
Anyone interested in some paid freelance writing on AI in drug discovery for drughunter.com - if so get in touch for more details !
This weeks questionable use of AlphaFold is is the prediction of the structure of a novel 12mer peptide BRP. www.nature.com/articles/s41...
Prohormone cleavage prediction uncovers a non-incretin anti-obesity peptide - Nature
Computational drug discovery is used to identify a 12-mer peptide derived from BRINP2 with potent anti-obesity effects that are independent of leptin, glucagon-like peptide 1 receptor and melanocortin...
www.nature.com
May 16, 2025 at 3:28 PM
This weeks questionable use of AlphaFold is is the prediction of the structure of a novel 12mer peptide BRP. www.nature.com/articles/s41...
A long day ahead, flying back home from Hamburg via Munich. Really enjoyed the CSSB 2025 conference, learnt so much; realised how much I missed virology.
May 9, 2025 at 4:16 AM
A long day ahead, flying back home from Hamburg via Munich. Really enjoyed the CSSB 2025 conference, learnt so much; realised how much I missed virology.
At DESY in Hamburg at CSSB for a few days. I’ll speak on structural biology and systems approaches in drug resistance, with a little splash of AI thrown in. I love these big science campuses.
May 7, 2025 at 7:02 AM
At DESY in Hamburg at CSSB for a few days. I’ll speak on structural biology and systems approaches in drug resistance, with a little splash of AI thrown in. I love these big science campuses.
I bought a really cute cactus today. Put it in plastic bag, then managed to enter glochid hell. Here is my hand with PVA glue waiting to dry.
May 2, 2025 at 11:50 PM
I bought a really cute cactus today. Put it in plastic bag, then managed to enter glochid hell. Here is my hand with PVA glue waiting to dry.
The approval of new differentiated drugs that improve on current therapies and particularly the approval of novel drugs for currently untreated diseases are the heartbeat of progress of the pharmaceutical industry and improved human health.
April 27, 2025 at 12:36 PM
The approval of new differentiated drugs that improve on current therapies and particularly the approval of novel drugs for currently untreated diseases are the heartbeat of progress of the pharmaceutical industry and improved human health.