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Phil Biggin

@philbiggin.bsky.social

Computational biochemist, interested in neuronal signalling at the atomic level and computer-aided drug design. All views my own. bigginlab.web.ox.ac.uk

72 Posts873 Follower375 Folgt
Phil Biggin@philbiggin.bsky.social · 5h ago

Latest preprint where we pooled our sim experiences to create "MDArena" for AI agents trying to automate MD simulation and analysis. Great work led by Nithishwer Mouroug Anand and @weitse-hsu.bsky.social and thanks to all lab members! @oxfordbiochemistry.bsky.social arxiv.org/abs/2608.02642

MDArena: Evaluating Coding Agents on Realistic Molecular Dynamics Workflows

Accelerating scientific discovery is among the most consequential applications of AI, and computational biomolecular simulation stands out as a particularly promising target within this broader effort...

arxiv.org

Peter Kenny@pwk2024.bsky.social · 3w ago

Opportunity for computational chemist at Genentech (South San Francisco CA USA) #CompChem #cheminformatics #AI #ML #ChemJobs #chemsky 🧪 careers.gene.com/us/en/job/20...

Principal Scientist (Computational Chemistry) in South San Francisco, California, United States of America | Research & Development at Genentech

Apply for Principal Scientist (Computational Chemistry) job with Genentech in South San Francisco, California, United States of America. Research & Development at Genentech

careers.gene.com

Phil Biggin@philbiggin.bsky.social · 2mo ago

Congratulations to Franco Viscarra with his collaborative contribution to PNAS , "A Cannabidiol-Sensitive Region Involved in the Allosteric Modulation of the α7 Nicotinic Receptor": www.pnas.org/doi/10.1073/pnas.2535398123 Nice combination of multiple techniques with Bouzat and Bermudez labs!

A cannabidiol-sensitive region involved in the allosteric modulation of the α7 nicotinic receptor | PNAS

Cannabidiol (CBD), a nonpsychoactive phytocannabinoid from Cannabis sativa, modulates the α7 nicotinic acetylcholine receptor (α7 nAChR), a key tar...

pnas.org

Derek Lowe@dereklowe.bsky.social · 2mo ago

A fellow of the Royal Society slashed funding for disease prevention, leading directly to the deaths of uncounted children. He promotes white supremacy and is actively encouraging racist violence in the UK. But he's Elon Musk, a billionaire. So the Royal Society does nothing. @royalsociety.org

Alan McNally@alanmcn1.bsky.social · 3mo ago

E. coli ST131 is becoming carbapenem resistant. I suspect as CTX-M moves onto the chromosome and the F plasmid is lost facilitating acquisition of carbapenemase plasmids. No good can come of this

The Lancet Microbe@lancetmicrobe.bsky.social · 3mo ago

New research article Emergence of carbapenemase-producing #Escherichia coli in acute care hospitals in 32 European countries (the CCRE survey) www.thelancet.com/journals/lan... #IDSky #ClinMicro #AMR #Ecoli #OpenAccess #OA

Phil Biggin@philbiggin.bsky.social · 3mo ago

Congratulations to Bjarne Feddersen for his work on benchmarking umbrella sampling workflows for PMF calculations of membrane permeation! Systematic work that provides guidance on how to approach these to minimise compute resource. @oxfordbiochemistry.bsky.social. pubs.acs.org/doi/10.1021/...

Umbrella Sampling Workflows for Fast-Converging PMF Calculations without Artificial WHAM Constraints

Umbrella sampling is a powerful tool to investigate the underlying free-energy landscapes that govern the permeation properties of small molecules through complex lipid bilayers. However, obtaining co...

pubs.acs.org

Matthew Freeman@mjafreeman.bsky.social · 4mo ago

Sorry for the cliché: not sure how to avoid it... I am very honoured to join such an illustrious list of previous winners And – of course – the credit largely belongs to the fabulous people I have been lucky enough to work with @dunnschool.bsky.social and earlier @mrclmb.ac.uk

Biochemical Society@biochemsoc.bsky.social · 4mo ago

A leader in the cell biology of signalling, the 2027 Centenary Award is presented to Matthew Freeman in recognition of his pioneering discoveries into the biological significance and mechanisms of rhomboid intramembrane proteases and pseudoprotease and unwavering commitment to mentorship!

The Biochemical Society 2027 Centenary Award presented to Professor Matthew Freeman from University of Oxford, UK.
Torsten Schwede@torstenschwede.bsky.social · 5mo ago

Is #AI hitting a plateau in structure prediction? Help us find out at CASP17! 🧪🧬 Calling for Targets: Immune Complexes, protein - ligand complexes, RNA/DNA, conformational ensembles, membrane proteins, viral origins, and large complexes. The Rule of Thumb: If AF3 can’t model it, we want it.

The Critical Assessment of Structure Prediction (CASP) experiment is calling for prediction targets: Immune Complexes, Organic Ligand-Protein Complexes, Nucleic Acids and Complexes, Conformational Ensembles, Difficult Protein Structures and Complexes. Rule of Thumb: If AlphaFold3 can generate a high-quality model, it is likely not a CASP-grade challenge. If it struggles, we want it.
Phil Biggin@philbiggin.bsky.social · 5mo ago

Happy to see our work on SLCO2A1 with @smlea.bsky.social, Nakanishi and Newstead labs out now. Important insight into how prostaglandin and many drugs are transported. Hats off to @weitse-hsu.bsky.social for computational work! @oxfordbiochemistry.bsky.social www.nature.com/articles/s41...

Structural basis for prostaglandin and drug transport via SLCO2A1

Nature Communications - SLCO2A1 (also known as OATP2A1) is responsible for the transport of eicosanoids, including prostaglandins (PGs), as well as of a subset of nonsteroidal anti-inflammatory...

nature.com

Phil Biggin@philbiggin.bsky.social · 5mo ago

To think, at one point fairly recently, it wasn't even clear, thanks to government indecision, if the UK would have a supercomputer - here is some evidence that it's not only a good scientific investment, but also a good economic one. Great job @epcc.bsky.social !

EPCC@epcc.bsky.social · 5mo ago

ARCHER2, the UK national supercomputing service, has delivered an eightfold return on investment to the economy according to independent analysis. Operated by EPCC, it has enabled more than £4.2bn in benefits to the UK economy since launching in 2021: edin.ac/47JGMHB

Montage with photo of Prof Mark Parsons and quote: "This report provides a resounding justification of the value of Government investment in large-scale national supercomputing."
Tomoaki Sobajima@tomogolgier.bsky.social · last yr.

Huge thanks to members of the Barr Lab, EMBOJ Editor Hartmut @hvodermaier.bsky.social and all reviewers!

The EMBO Journal@embojournal.org · last yr.

WIP1 mutations suppress DNA damage-triggered bypass of the mitotic timer @tomogolgier.bsky.social, Francis Barr et al show that prolonged delays in mitosis & G2 DNA-damage stress cause G1 cell-cycle arrest via different routes distinctly affected by cancer mutations www.embopress.org/doi/full/10....

Phil Biggin@philbiggin.bsky.social · 5mo ago

Finally, the fully-typeset version of @haroldgrosjean.bsky.social's review "Developments and challenges in hit progression within fragment-based drug discovery" is online www.nature.com/articles/s41.... Congratulations Harold! @oxfordbiochemistry.bsky.social

Developments and challenges in hit progression within fragment-based drug discovery - Nature Communications

This review maps key bottlenecks in turning fragment hits into lead compounds and highlights emerging solutions: integrated Design-Make-Test cycles, high-throughput assays, automation and modelling to...

nature.com

Phil Biggin@philbiggin.bsky.social · 5mo ago

Great to see this paper out with @profkalium.bsky.social - with MD from David Seiferth. GqPCR inhibition inversely correlates with channel open probability, and results from a state-dependent destabilisation of the open state by DAG promoting channel closure. link.springer.com/article/10.1...

Structural determinants for GPCR-mediated inhibition of TASK K2P channels by diacylglycerol and its dysfunction in disease - The EMBO Journal

Two-Pore Domain K+ (K2P) channels are crucial determinants of the resting membrane potential and of cellular electrical excitability in many different cell types. TASK-1 and TASK-3 K2P channel activit...

link.springer.com