Chris Radoux

Structural Bioinformatician at Exscientia. Into proteins, data, CG and scientific art

[Chris Radoux @ChrisRadoux]

Thank you @ccdc_cambridge for giving me time to talk about one of my favourite subjects - automated drug design. Please do sign up for the webinar if you would like to learn more!

[CCDC Cambridge @ccdc_cambridge]

Don't miss our interview with Chris Radoux, Associate Director of Tractability Informatics @ExscientiaAI, and find out more about the role the CSD and CCDC software play in the #AutomatedDrugDesign workflows at Exscientia.

🔗https://t.co/5C8yyeSL3d

#AI

[Chris Radoux @ChrisRadoux]

@ColbonPaul @exscientiaAI @ukqsar Thank you! Hopefully we can chat another time 😊

[Chris Radoux @ChrisRadoux]

Drop by my poster at @ukqsar to see the results of our automated structure-based design workflow. We achieved a 44% hit rate on two targets, with IC50s from 42 nM to ~1 µM. Automated design is allowing us to assess drug targets based on the quality and novelty of designs

[Chris Radoux @ChrisRadoux]

Really looking forward to returning to @ukqsar (in Liverpool this year, a local conference!), this time sharing our work on automated design using Alphafold 2 models.

[Rich Law @drrichjlaw]

Really exciting to get this differentiated molecule in to patients! $EXAI

[Chris Radoux @ChrisRadoux]

Our paper “The Druggable Genome: 20 Years Later” has published in @FrontBioinf! Read @Exscientia’s take on the evolution of the concept & what’s needed next: #automation to produce a knowledge graph, from gene-level-to-protein residue 👉 https://t.co/NrTPQVJQBT

[Ministry of Housing, Communities & Local Gov @mhclg]

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[Practical_Fragments @PracticalFrag]

Selectivity made easy:
1. Use computational fragment probes on crystallographic structures to find all binding interactions on related proteins
2. ‘Subtract’ one set from another
https://t.co/E9RxyHVhSN
@CmdOxford @ChrisRadoux @FrankvonDelft @JasonColeCCDC @JCIM_ACS

[JCIM & JCTC Journals @JCIM_JCTC]

Fragment Hotspot Mapping to Identify Selectivity-Determining Regions between Related Proteins #moleculardesign #BindingSites #ProteinFamily
https://t.co/rfe8g57bTb
@mihismi @ChrisRadoux @FrankvonDelft @JasonColeCCDC @bmarsden19
#current_issue #compchem

[Chemical Science @ChemicalScience]

In this week's #ChemSciPicks, @TheFischerLab at @StJudeResearch show how temperature artifacts in protein structures can conceal errors when using cryogenic data, and these changes can influence ligand-binding predictions.
Read in full for free here ➡️ https://t.co/sp6SalFpwr

[EWOC @EWOC8]

We're looking forward to the #careerpanel at #EWOC2021 scheduled for 1230 pm EDT (exactly 24 h from this tweet!) on Friday, June 25th! @ACSorganic #WomenInChemistry @KayBrummond @EmmaRadouxChem @MPWatsonLab

[Chris Radoux @ChrisRadoux]

My latest render of a fragment bound to CDK2's hotspot. Definitely aiming for pretty over realistic here 🙂 #FBDD #SciArt #Blender3d

[Fer 🚀 @gomobel]

oh so now @EmmaRadouxChem says Diels-Alder reactions are all wrong? 😊😛

(also, very cool #chemgif!) 🥳

https://t.co/OlDHdAKo4x

[Chris Radoux @ChrisRadoux]

@EmmaRadouxChem Now it just looks like this 😊

[Chris Radoux @ChrisRadoux]

@EmmaRadouxChem @MrBarryLewis Yes please!

[Chris Radoux @ChrisRadoux]

@EmmaRadouxChem This but more pizza 🍕

[Chris Radoux @ChrisRadoux]

Congratulations Victor!

[JCIM & JCTC Journals @JCIM_JCTC]

Hotspots API: A Python Package for the Detection of Small Molecule Binding #Hotspots and Application to Structure-Based #Drug Design
https://t.co/gZL8elPjY1
@ChrisRadoux @bmarsden19 @an_andrew_leach
#Current_issue #Application_note

[Practical_Fragments @PracticalFrag]

Nearly four decades since HIV was first described, there is still no vaccine. So collaborations for COVD-19 drugs must continue. Examples from HIV in the 1980s and 1990s inspire.
https://t.co/hSg8Bd2H7Z
@covid_moonshot @QuantumTessera

[Chris Radoux @ChrisRadoux]

@EmmaDurhamChem Even the cats are desperate for some fresh air 🙀