PhD Student @UCL in Open-Source Drug Discovery with A.I. 💊🤖

London, England
Joined April 2020
Is there currently an issue with the #zinc22 #ZincDatabase ? I have only been seeing internal server errors for a while whilst trying to download molecular tranches. #cheminformatics #bioinformatics #computationalchemistry
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Last week I was at the UN @Refugees Forum, hearing stories of hope and perseverance. This is Bernice, she grew up without electricity and became an electrical engineer working on medical technology. More stories like this on a special episode of the #HappyPod @bbcworldservice
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Tom Knight retweeted
Massive news! Don’t rush to your doctor today. This will take a long time to implement. But we here! Access to hybrid closed loop is here ❤️✨
🚨Breaking news!🚨 @NICEComms approves #HybridClosedLoop for the majority of people living with #Type1Diabetes in England and Wales! Read the full story 👉 bit.ly/41uGi3Z #GBDoc #T1D
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Tom Knight retweeted
Need an ET mediator for organic electrosynthesis? Here's an extensive compilation of options for both oxidations and reductions, thanks to Luana and Dipa K & Dan L from #MerckChemistry: doi.org/10.1016/bs.acat.2023…
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It may have been a while since my last electrosynthesis, but it’s so easy to pick up again with the ElectraSyn ⚡️ 🧪
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National Lab (LBNL) results support LK-99 as a room-temperature ambient-pressure superconductor. Simulations published 1 hour ago on arxiv support LK-99 as the holy grail of modern material science and applied physics. (arxiv.org/abs/2307.16892) Here's the plain-english explanation: - The simulations modeled what the original Korean authors proposed was happening to their material - where copper atoms were percolating into a crystal structure and replacing lead atoms, causing the crystal to strain slightly and contract by 0.5%. This unique structure was proposed to allow this amazing property. - @sineatrix from Lawrence Berkeley National Lab simulated this using heavy-duty compute power from the Department of Energy, and looked to see what would happen to the 'electronic structure' of this material, meaning, what are the available conduction pathways in the material. - It turns out that there are conduction pathways for electrons that are in just the right conditions and places that would enable them to 'superconduct'. More specifically, they were close to the 'Fermi Surface' which is like the sea-level of electrical energy, as in '0 ft above sea-level.' It's believed currently that the more conduction pathways close to the Fermi surface, the higher the temperature you can superconduct at (An analogy might be how its easier for planes to fly close to the surface of the ocean due to the 'ground effect' that gives them more lift.) This plot in particular shows the 'bands', or electron pathways, crossing above and below the Fermi surface. - Lastly, these interesting conduction pathways only form when the copper atom percolates into the less likely location in the crystal lattice, or the 'higher energy' binding site. This means the material would be difficult to synthesize since only a small fraction of crystal gets its copper in just the right location. This is insanely bullish for humanity.
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WE ARE OFFICIALLY BACK @sineatrix finds a theoretical basis for superconductivity in Cu-doped Lead Apatite. Isolated flat bands at the Fermi level is a hallmark of superconducting crystals. LK99 has it!!!! This is huge – at Manhattan, NY
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Today might have seen the biggest physics discovery of my lifetime. I don't think people fully grasp the implications of an ambient temperature / pressure superconductor. Here's how it could totally change our lives.
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Here’s a 100ns AMBER molecular dynamics simulation of one of our synthesised ligands from the @thesgconline #openscience project bound to the SARS-CoV-2 helicase/ATP/ssRNA complex with help from Dr Geoff Wells @School_Pharmacy Great to be able to visualise our chemistry🧪
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📱A software update is now available to the Freestyle Librelink app, which will now allow people to use the Freestyle Libre 2 like a real-time continuous glucose monitor. We’ve put together the latest updates on our website 👉bit.ly/43oRFcT @FreeStyleDiabet
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Tom Knight retweeted
Freestyle Libre 2 is now a real time CGM. Today, iPhone and Android apps were updated (2.10)- Abbott is doing a week long phased update with some users getting it today already. The first L2 sensor after the app update will work like Libre 3 with real time readings every minute.
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Tom Knight retweeted
Not a pretty picture. Fusion of nerve cells after #SARSCoV2 exposure in human brain organoids with loss of function science.org/doi/10.1126/scia… @ScienceAdvances
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The next #openscience online meeting of the #READDI #antiviral #drugdiscovery project vs #SARSCoV-2 #Nsp13 is Monday at 5pm UK time. github.com/StructuralGenomic…… All welcome. @target2035 @thesgconline at
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Next #openscience online meeting of the #READDI #antiviral #drugdiscovery project vs #Nsp13 is Monday 5pm UK time. github.com/StructuralGenomic… All welcome. @target2035 @thesgconline @TomMBK97
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Do you want to help #research into how #tech can help manage #T1D? To join, you must: ✅ be aged 18-26 ✅ have #Type1Diabetes ✅ use a #CGM & insulin pump ✅ live in the UK You'll receive: ⌚ a @fitbit 💷 up to £290 More info and sign up: forms.office.com/pages/respo… #GBDoc
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Tom Knight retweeted
Love this slide from Dr Kevin Moore 😍💙 @Thriveabetes #thriveabetes23 #IREdoc #NIdoc #DOC
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I gave GPT-4 a budget of $100 and told it to make as much money as possible. I'm acting as its human liaison, buying anything it says to. Do you think it'll be able to make smart investments and build an online business? Follow along 👀
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A little video of a machine-learning generated molecule that I'm currently synthesising docked to the SARS-CoV-2 helicase - hopefully, a future antiviral! 💊🦠 A fun way to procrastinate whilst conveying useful SAR information.
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