Phil Biggin
@philbiggin.bsky.social
800 followers
310 following
43 posts
Computational biochemist, interested in neuronal signalling at the atomic level and computer-aided drug design. All views my own.
@[email protected] @philbiggin@X
bigginlab.web.ox.ac.uk
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Phil Biggin
@philbiggin.bsky.social
· Jul 16
Phil Biggin
@philbiggin.bsky.social
· Jul 16
Martin Smith
@martinrsmith.bsky.social
· Jul 14
The Global Partner of Choice for R&D | Report | Wellcome
This report outlines the importance of research and development (R&D) for the UK, emphasising its role in economic growth, global reputation and national security amidst changing geopolitical landscap...
wellcome.org
Phil Biggin
@philbiggin.bsky.social
· Jul 14
Can AI-predicted complexes teach machine learning to compute drug binding affinity?
We evaluate the feasibility of using co-folding models for synthetic data augmentation in training machine learning-based scoring functions (MLSFs) for binding affinity prediction. Our results show th...
arxiv.org
Reposted by Phil Biggin
Reposted by Phil Biggin
Phil Biggin
@philbiggin.bsky.social
· Jun 30
Phil Biggin
@philbiggin.bsky.social
· Jun 17
Reposted by Phil Biggin
Reposted by Phil Biggin
Reposted by Phil Biggin
The Guardian
@theguardian.com
· Jun 9
Cutting-edge AI models ‘collapse’ in face of complex problems, Apple study finds
‘Pretty devastating’ paper raises doubts about race to reach stage of AI at which systems match human intelligence
Apple researchers have found “fundamental limitations” in cutting-edge artificial intelligence models, in a paper raising doubts about the technology industry’s race to develop ever more powerful systems.
Apple claimed in a paper published at the weekend that large reasoning models (LRMs) – an advanced form of AI – faced a “complete accuracy collapse” when presented with highly complex problems. Continue reading...
www.theguardian.com
Reposted by Phil Biggin
Reposted by Phil Biggin
Jan H. Jensen
@janhjensen.bsky.social
· Jun 5
ChatGPT can now use RDKit! | Nicholas Runcie | 15 comments
🔥 Blog Post 🔥 ChatGPT now has access to RDKit. You can ask the models to write and execute cheminformatics code directly in the chat. I have briefly played with these models, and my highlights are:
...
www.linkedin.com
Reposted by Phil Biggin
Reposted by Phil Biggin
Philip Ball
@philipcball.bsky.social
· Jun 3
Reposted by Phil Biggin
Mario Barbatti
@mbarbatti.bsky.social
· May 31
When theory came first: a review of theoretical chemical predictions ahead of experiments
For decades, computational theoretical chemistry has provided critical insights into molecular behavior, often anticipating experimental discoveries. This review surveys twenty notable examples from t...
doi.org
Reposted by Phil Biggin
Phil Biggin
@philbiggin.bsky.social
· May 28
Structure-Activity-Relationships can be directly extracted from high-throughput crystallographic evaluation of fragment elaborations in crude reaction mixtures
Fragment hits serve as starting points for lead-like compound development. A common approach to advancing from fragments is to build structure-activity relationships (SARs) from close analogues. One ...
chemrxiv.org
Phil Biggin
@philbiggin.bsky.social
· May 27
Phil Biggin
@philbiggin.bsky.social
· May 26
Allosteric Control of Super-Agonism in a Ligand-Gated Ion Channel
Ligand-gated ion channels open in response to the binding of an agonist. The agonist binding site is typically located tens of Angstroms away from the channel gate, which lies within the membrane and ...
www.biorxiv.org