Minos Matsoukas

Computational chemist, researcher, entrepreneur

[JCIM & JCTC Journals @JCIM_JCTC]

GAI.A: An Integrated Machine-Learning Platform for Predicting Bioaccumulation and Ecotoxicity of Pharmaceuticals
https://t.co/dNKwrkBQ9O
@MPapadourakis @didachos @CavourasDion @minws13
#JCIM Vol66 Issue3 #MachineLearning #DeepLearning

[Razvan Borza @rborza_]

AlphaFold can predict protein, DNA, or RNA complexes.. BUT is it easy to determine the reliable interactions?🤔

➡️ AlphaBridge will identify the most confident interactions, making your analysis easier!

🌐Try it here: https://t.co/VoUvfdDruD
👀Read more: https://t.co/wfEK74sSpo

[JCIM & JCTC Journals @JCIM_JCTC]

Identification of Small-Molecule Antagonists Targeting the Growth Hormone Releasing Hormone Receptor (GHRHR) #drugdiscovery #MolecularDynamics
https://t.co/2TkJFH2c2x
@minws13 @TarrynRadomsky @MPapadourakis @UPTuks @upatras
#JCIM Vol64 Issue18 #compchem

[Oded Rechavi @OdedRechavi]

Moments after you agree to write a review

[Minos Matsoukas @minws13]

We are happy to report the first small molecule antagonists of the GHRHR. Take a look at our work in collaboration with great teams from @UPTuks @upatras published in @JCIM_JCTC. #OpenAccess thanks to @heallinkgr
https://t.co/hdKxBErVCO

[Minos Matsoukas @minws13]

Huge

[Google DeepMind @GoogleDeepMind]

Announcing AlphaFold 3: our state-of-the-art AI model for predicting the structure and interactions of all life’s molecules. 🧬

Here’s how we built it with @IsomorphicLabs and what it means for biology. 🧵 https://t.co/gjw6Ip4F2M

[BryanRoth @zenbrainest]

YUUGE paper just dropped with amazing results!! AlphaFold2 structures template ligand discovery | bioRxiv https://t.co/LKaPfBC2yR

[Minos Matsoukas @minws13]

Our recent work on predicting small molecule cytochrome inhibitions using interaction fingerprints with ML

https://t.co/rwSuoHBcqf

[Minos Matsoukas @minws13]

Me after passing through the first round of review for my grant application #grants #science #funding

[Minos Matsoukas @minws13]

New PhD and Postdoctoral positions in the group, #hiring for Machine Learning and AI for Drug Discovery. Know anyone who might be interested? #drugdiscovery #ML #cheminformatics #computationalchemistry #computationalbiology
👇
https://t.co/2wbe2GalAc

[Mohammed AlQuraishi @MoAlQuraishi]

Interesting status update from DeepMind on AlphaFold (just that, no model, paper, or code). All atom version in the works (similar to RFAA). Meaningful gains on small molecules but far from 'solved' (think AF1 vs AF2). Same w/nucleic acids and antibodies.

[Minos Matsoukas @minws13]

@TassosPerrakis @NKI_nl @CellChemBiol no worries! Just use it for tweeting really important stuff! 💪

[Minos Matsoukas @minws13]

Really glad to contribute to this work from the @TassosPerrakis group at @NKI_nl, in which we try to understand how the Autotaxin "tunnel" is crucial for ATX/LPA signaling and dictates specific cellular response, published in @CellChemBiol.
Check it out
👇
https://t.co/d0tJVBn3FY

[datamol.io @datamol_io]

In the past few threads, we’ve talked about how important structure-activity relationships (SAR) are for drug discovery.

Efficiently aligning the molecules in your dataset can make it easier to visualize and highlight substructures that are relevant to activity. 🧵(1/5)

[Dr. Theodora Katsila @trilovitis]

We are going to #Nodes22!! Sotiris Ouzounis together with @kanterakis & Vasilis Panagiotopoulos will be presenting #CloudScreen: a graph-based #drug #repurposing platform empowered by #ML. https://t.co/YdXpKgal2o @EIEgr @katsila_lab @minws13 @eyde_etak @uniwa_gr

[Minos Matsoukas @minws13]

Bees are important. Can we help them into not stressing out using synthetic ligands targeting a specific GPCR?
Yes we can. Check out our recent work with @acordomi and others in @SciReports https://t.co/mMvhPTWNh8

[Minos Matsoukas @minws13]

Check out our new work in collab with @UABBarcelona and @idibell_cat on the design, synthesis and evaluation of Calcineurin inhibitors for tumor suppression in triple negative breast cancer. https://t.co/vhHBAFU3u0

[Nature Reviews Drug Discovery @NatRevDrugDisc]

2021 FDA approvals https://t.co/qvpCLdacru The FDA approved 50 novel drugs in 2021, keeping up the level of recent years. Find out more about the trends and highlights, such as the first KRAS inhibitor for cancer, in this annual roundup by @AsherMullard

[Demis Hassabis @demishassabis]

The #AlphaFold database has doubled in size today & now includes more than 800,000 structures. This is just one more step towards releasing 100+ million protein structures over the next year, that will cover almost every sequenced protein known to science!!

[Lorenzo Casalino @LCasalino88]

I looked at the position of the (15) #Omicron spike's RBD mutations and how they *might* impact ACE2 and class 1,2,3,4 Abs binding.

Ten are in the RBM, affecting ACE2 and cl. 1,2 Abs; G339D might impact cl. 3 Abs; S371L-S373P-S375F might perturb the cryptic epitope of cl. 4 Abs.