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We start the new year with a publication on our efforts to develop SARS-CoV2 3CLpro covalent inhibitors. A major team effort which is still ongoing. authors.elsevier.com/a/1eMTzoqiQ6xGv

A really unique database. A must read for those developing phosphine ligands for catalysis. Gabe Gomes Alan Aspuru-Guzik Sigman Lab tobiasgensch

Hey #compchem and #chemtwitter: we believe we're having a #CCCE2022 in Calgary 🇨🇦 in June, Nicolas Moitessier and I are organizing a symposium, and we want YOU to join us. Our session titled, Beyond the Basic Science – Translating Computer Aided Molecular Discovery, is about...

You want to dock covalent inhibitors or metalloenzyme inhibitors. Our docking programm FITTED is what you need!

(1/4) Last month, our co-founder and CSO, Nicolas Moitessier, along with collaborators McGill University, published his lab's recent efforts to design covalent inhibitors of the SARS-CoV-2 viral protease. #drugdiscovery #compchem sciencedirect.com/science/articl…

New research from Jean-Francois Trempe & colleagues presents a method of using isotope-labeled D3-leucine to measure protein turnover in human iPS cell organoids (via Mass Spec); "Robust computational method to determine protein half-lives" sciencedirect.com/science/articl…

Nice work Jean-Francois Trempe !

[PAPER] Recent #drugdiscovery research from our CSO's lab at McGill University McGill Chemistry showcases hit discovery, covalent design, selectivity consideration, and more. Design (using our software), synthesis, and testing. sciencedirect.com/science/articl… #CADD #compchem #Parkinsons #cancer

The Biological & Medicinal Chemistry Lectureship Award is presented to a scientist who has made a distinguished contribution to the field of biological or medicinal chemistry. Congrats Dr. Nicolas Moitessier of McGill University on being the recipient of this award buff.ly/3KYJDSH

(1/6) We are proud to announce that our co-founder and CSO, Prof. Nicolas Moitessier, is the 2023 winner of the Chemical Institute of Canada Biological and Medicinal Chemistry Lectureship Award!

Nous recrutons ! Si vous êtes passionné par la découverte de médicaments et que vous avez une formation en biophysique, nous vous invitons à postuler en tant que chercheur(e) scientifique. Pour en savoir plus: nmxresearch.com/fr/careers

Ben Weiser and team worked to learn how well GPT3 understand SMILES strings - with applications in molecular fragmentation and using LLMs to optimize molecular properties using a genetic algorithm. McGill University 🤖 youtu.be/2IioRZ1Qq_Y

Learn more about recent key research in this Feature Article 'Computational and biophysical methods for the discovery and optimization of covalent drugs' from Anthony K. Mittermaier, Nicolas Moitessier, Nicolas Moitessier @McGillU buff.ly/3Lj1wL4

Weiser, Moitessier et al. demonstrate how machine learning methods can be combined with molecular docking to improve predictions of CYP predictions in our next featured article. Find out more in the #openaccess paper: doi.org/10.1039/D3DD00…

Don’t miss our teams Lab training modules! - Molecular modelling youtube.com/watch?v=8BCVnC… Nicolas Moitessier NSERC / CRSNG, nice work trainees!

Exceptional week! 2nd #aptamer paper online Nucleic Acids Res by talented Dr. @MairaRivera + Omma Ayon! We developed a *FASST* way to screen #riboswitch inhibitors. Great collaborators: Prof. Mittermaier, Nicolas Moitessier, Molecular Forecaster $$ by @GenomeQuebec. academic.oup.com/nar/advance-ar…