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New paper from our Atomwise research team (not me) at NeurIPS on using generative methods to search ultra-huge (trillions) chemical libraries:

An efficient graph generative model for navigating ultra-large combinatorial synthesis libraries

arxiv.org/abs/2211.04468

#chemistry #chemiverse #drugdiscovery

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Alright, time for some #Introduction. Hello everyone!

I'm a scientist working on #MachineLearning models for #DrugDiscovery and #Genomics.

In brief, talk to me if:
- you want to know how drugs are discovered (it's tough)
- you want to know how machines learn (also tough)
- you like science and graphic novels

Don't talk to me if:
- you are a prince from a far away land looking for help to move large sums of money
- you drink cappuccino after lunch

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Just joined and testing this new platform, time for an #introduction!

We are a #biochemistry and #structuralbiology laboratory based in #Pavia, #Italy.

#wemakeproteins and are fascinated by the #extracellular space: we study how #collagen contributes to the assembly of the #ECM and we perform #drugdiscovery studies on #enzymes of collagen #biosynthesis, plus we investigate various #ligand - #receptor #interactions leading to #signaling in humans and in insects.

Always open to #collaboration.

Check our website and help us grow: fornerislab.unipv.it/armenise_

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#cancer treatment using #CRISPR used to alter immune cells to recognize proteins specific to a person’s tumours. Efficacy of the treatment was low, however, the researchers used relatively small doses of T cells to establish the safety of the approach. #mastodonscience #sciencemastodon #science #genetics
nature.com/articles/d41586-022

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Hi all 👋 One of our favorite things is making & sharing open source #genomics resources. Our latest is CRIPSRpedia – a free online textbook! Learn (& teach) about #CRISPR, from its role in nature :rna: to development of the genome editing tool, to applications in research 🔬, medicine 👩‍⚕️ & ag 🍓. Check it out! ➡️ crisprpedia.com

Oh and the awesome illustrations by Tami Tolpa are free to use for non-commercial purposes. 🎉

#introduction

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Hi Fediverse,
It's time for an #Introduction update.
I am a data scientist interested in #MachineLearning and #Protein science in #DrugDiscovery. In previous incarnations I was a chemist / structural biologist in academia.

Expect #Science stuff, #Python stuff, #Karate stuff and lefty #Politics stuff.

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Hello #scicomm people!

I’m a medicinal chemist at the Institute of Cancer Research in London, so my day job is designing and making new chemicals with the hope of coming up with new medicines to treat cancer patients. I also teach in this topic at UCL.

I work as part of teams with scientists across disciplines, so looking forward to meeting a broad range of people on here!

#introduction #chemistry #medchem #drugdiscovery #cancer

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Recent #migration from the bird app, so here is my #introduction
I’m a medicinal chemist who works in #DrugDiscovery for Cancer Research Horizons (all views my own etc.). I currently have an interest in Fragment-Based drug discovery, new therapeutic modalities, GTP-ases and enabling synthetic methodologies.
I’ve previously worked in both the CRO and Agrochemical sector, where as I’ve also gained experience in Combinatorial and Process #Chemistry
#ChemToots #ChemMastodon

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We also have a new paper out this week: nature.com/articles/s41598-022 l

This report describes the start of a #DrugDiscovery programme - setting up assays, screening, crystallography. A lot of work goes into this #HitDiscovery phase and we feel it is often underreported, so great that Olivier, Maggie and team pulled this paper together.

Without this work, projects don’t get off the ground, so kudos to our #AssayDevelopment and #StructuralBiology colleagues!

#xray #bcl6 #hts #fragment

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A bit late, but here is my #introduction. I am biologist and a Group Leader @HelmholtzMunich. We study #CellDeath mechanisms and translate these findings into future drugs using #ChemicalBiology and #DrugDiscovery approaches. We are particularly interested in deciphering the cellular mechanisms controlling #Ferroptosis and characterizing regulators of #Ubiquitin Signaling in #CellDeath pathways. In addition, my lab operates the Compound Screening Platform with strong expertise in #HTS and #HCS.

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Really nice review just published on the use of covalently-bound fragments in #DrugDiscovery by some current and former colleagues #FBDD #Chemistry

mdpi.com/1424-8247/15/11/1366

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Hi everyone! #Introduction time!

Most of you know me from Twitter but since I'm going to be on Mastodon more often, I figured I may as well (re)introduce myself. I am #biologist who instructs #robots to create assays for #DrugDiscovery. I completed my degree and am still very interested in #neuroscience. Hobbies include #TTRPGs and other board games, philosophy of science, and watching #RealityTV. My partner is @john and here is a goofy photo of us!

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-Time for a short #Introduction-

I am a group leader in #MedicinalChemistry at the University of Parma. My lab combines #chemical & #computational techniques to develop novel pharmacological tools to study different Chronic Diseases (#CysticFibrosis, #IBD, #Hypercholesterolemia, #Alzheimer, #Cancer) and Infective Agents (#SARSCoV2, #Enterovirus, #Flavivirus, #Monkeypox, #HIV).
We are particularly interested in the development of #MultiTarget inhibitors and open to new #collaborations in #DrugDiscovery.
#Tooting (sooner or later) about the #chemistry and #science

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New approach to in silico drug screening, look promising.

"ToDD: Topological Compound Fingerprinting in Computer-Aided Drug Discovery"

#DrugDesign #DrugDiscovery
biorxiv.org/content/10.1101/20

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Beautiful handmade wrap up for the round table on Accelerating Pharmaceutical Research and the Role of Digital Technologies #BiotechX #CloudComputing #DrugDiscovery

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