Royal Society Wolfson Fellow & Faculty at Imperial College London. EBM at @OxfordJournals Briefings in #Bioinformatics, @Nature_NPJ #PrecisionOncology, et al.
London, UK
Joined September 2012
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Struggling to tell which binding affinity prediction methods actually work and which just make the most noise?
Our new Nature Machine Intelligence paper offers 7 essential guidelines to raise the bar:
rdcu.be/tCU9tkxxqEJa
Less hype. More reliable science.
#DrugDiscovery #AI
📢 Postdoc position in AI for Antifungal Drug Discovery available at my group
🤝 In collaboration with other groups at Imperial, GSK & Dundee Drug Discovery Unit
📅 Applications close 28 Oct 2026
🔗 All details can be found at careers.iscb.org/jobs/view/1…
Pedro Ballester retweeted
Academics have expressed dismay after AI was used to reject half of the grant proposals in a UK Research and Innovation-funded call
timeshighereducation.com/new…
A pleasure to attend a stimulating Research Professors networking event at the Royal Society.
Excellent discussions on timely topics, followed by a great drinks reception and formal dinner.
Many thanks to Sir David Baulcombe for hosting and for the kind invitation.
Check out📖doi.org/10.1039/D6DD00399K🚀 TRPM8 virtual screening study. Inactive-enriched structure-based ML shows top performance on novel chemical space. Without requiring 3D structures of this target, fine-tuning BIND, a structure-free protein language model, strong alternative.
Pedro Ballester retweeted
My lab is now hiring two postdocs to lead biobank-scale disease genomics discovery and PheWAS, and develop AI/ML/LLM approaches to predict genetic variant function. Strong programming skills, a solid publication record, and a human genetics background are required. Please share.
🧬 New paper: AI-driven drug repositioning using complementary #MachineLearning models achieved an 82% prospective hit rate and picomolar potency. A promising approach to fight #AntimicrobialResistance
📄 advanced.onlinelibrary.wiley…
That’s a wrap on the 21st CIBB at the beautiful Sapienza University of Rome! 🏛️ I had a great time sharing our work. Check out our new paper presented here: cibb2026.teralab.ai/pdfs/CIB…
Pedro Ballester retweeted
Our #NextTopDocker is now online in #JMedChem!!
doi.org/10.1021/acs.jmedchem…
@ACSPublications @AmerChemSociety
#docking #benchmark #AI
@pjballester
Check our new paper link.springer.com/article/10…
If you think that off-the-shelf end-to-end deep-learning docking or protein–ligand co-folding methods are the best approaches for virtual screening, here you have a reproducible counterexample.
Pedro Ballester retweeted
Aparte del rancio viejuno y machista "Qué mona va siempre esta chica" , ahora a lo serio: lo ha explicado muy bien.
Y la verdad es la verdad, la diga Agamenón o su porquero.
Check out my latest article: PhD Studentship in Artificial Intelligence for Structure-Based Virtual Screening linkedin.com/pulse/phd-stude… via @LinkedIn
Enjoyed speaking at the SAE Media Group's AI in Drug Discovery conference. A big thank you to them for organising and also for my interview smgconferences.com/documentp…
Enjoyed reading "Hit identification in ultra large virtual screening: an integrative review and future challenges"
sciencedirect.com/science/ar…
Interested in drugging ion channels? Check out our study frontiersin.org/journals/dru…
So much done, so much more left to do: "Seven in 10 people now survive their cancer five years or more, up from only half in the mid-70s" pressroom.cancer.org/cancer-…
FutureHouse has announced the 2026 AI-for-Science Independent Postdoctoral Fellowship (deadline 13 Feb 2026). Applicants need a co-advisor. I am happy to consider candidates: email [email protected] with CV + 2-page proposal. All info at futurehouse.org/fellowship
