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Super excited to preprint our work on developing a Biomolecular Emulator (BioEmu): Scalable emulation of protein equilibrium ensembles with generative deep learning from Microsoft Research AI for Science. #ML #AI #NeuralNetworks #Biology #AI4Science biorxiv.org/content/10.110…

You may have seen a recent pre-print [1] from Jain et al. with strongly worded claims against the experimental results in our DiffDock paper [2]. We initially declined to respond as we saw that this preprint contained falsehoods, misleading comparisons, seemingly deliberate

Structure-Based Discovery of a Series of Covalent, Orally Bioavailable, and Selective BFL1 Inhibitors covalentmodifiers.blogspot.com/2024/12/struct…

This summary of major clinical updates from November covers FDA approvals, the initiation of new clinical trials, notable trial outcomes for key drug candidates, and news on paused and discontinued trials and programs. Read more here: drughunters.com/3ZO0IWd

Exploring Extended Warheads toward Developing Cysteine-Targeted Covalent Kinase Inhibitors covalentmodifiers.blogspot.com/2024/12/explor…

An incredible experience beyond imagining to get to sign the great Nobel book, alongside many of my all-time scientific heroes: Einstein, Curie, Bohr, Planck, Schrodinger, Crick, Feynman…

Covalent inhibitors of the RAS binding domain of PI3Ka impair tumor growth driven by RAS and HER2 covalentmodifiers.blogspot.com/2024/12/covale…

Really comprehensive and nicely written Chemical Reviews by Nir London on covalent proximity inducers pubs.acs.org/doi/full/10.10…

Probing the Protein Kinases' Cysteinome by Covalent Fragments covalentmodifiers.blogspot.com/2024/12/probin…

Chemoselective Stabilized Triphenylphosphonium Probes for Capturing Reactive Carbonyl Species and Regenerating Covalent Inhibitors with Acrylamide Warheads in Cellulo covalentmodifiers.blogspot.com/2024/12/chemos…

It is very sad to learn that Martin Karplus passed away on Dec 28 at age 94. He was a scholar and pioneering chemical physicist with great contributions in many areas including molecular dynamics. We interacted many times starting from my graduate time at Harvard. His legacy is

Hydralazine inhibits cysteamine dioxygenase to treat preeclampsia and senesce glioblastoma [Matthews Group] covalentmodifiers.blogspot.com/2025/01/hydral…

#compchem If your are interested by Karplus' scientific life, here is an interesting read: Spinach on the Ceiling: A Theoretical Chemist’s Return to Biology. ftp.rush.edu/users/molebio/…

Targeted Covalent Modification Strategies for Drugging the Undruggable Targets covalentmodifiers.blogspot.com/2025/01/target…

CovCysPredictor: Predicting Selective Covalently Modifiable Cysteines Using Protein Structure and Interpretable Machine Learning covalentmodifiers.blogspot.com/2025/01/covcys…

Today we report in Nature Medicine the development of a base editing strategy for prion disease, currently a fatal and rapidly progressing neurogenerative condition with no effective treatment. @PrionAlliance DevermanLab (1/13) drive.google.com/file/d/1DVpKrz…

Covalent-Allosteric Inhibitors: Do We Get the Best of Both Worlds? covalentmodifiers.blogspot.com/2025/02/covale…

Glecirasib, a potent and selective covalent KRAS G12C inhibitor exhibiting synergism 2 with cetuximab or SHP2 inhibitor JAB-3312 covalentmodifiers.blogspot.com/2025/05/glecir…

Design, synthesis and biological evaluation of the activity-based probes for FGFR covalent inhibitor covalentmodifiers.blogspot.com/2025/05/design…

Advances are being made to rationally design and develop cereblon-based molecular glue degraders - here's a perspective on their property-based optimization pubs.acs.org/doi/full/10.10…