Registrations and abstract submission for the 23rd Melbourne Proteins Group Student Symposium are still open!
16th July, Bio21 Institute, Melbourne.
Register here!
www.eventbrite.com.au/e/mpg-23rd-s...
Super excited to preprint our work on developing a Biomolecular Emulator (BioEmu): Scalable emulation of protein equilibrium ensembles with generative deep learning from @msftresearch.bsky.social ch AI for Science.
www.biorxiv.org/content/10.1...
Here's a new one with an interesting overlap bsky.app/profile/yiec...
#compchem
#compchem
#compchem
You might find some of these of interest, cheers bsky.app/profile/ckel...
#compchem
#compchem
#compchem
#compchem
As for the #medchem and #drugdiscovery training resources (freely available) we have recorded talks on Medicinal Chemistry-related topics: physicochemical properties, metrics in drug design, PAINS, and hERG blockers:
wcair.dundee.ac.uk/training/tra...
#ChemSky
#compchem
Also note this alternative federated learning approach talk at the RDKit UGM: www.youtube.com/watch?v=Y1mj...
paper: pubs.acs.org/doi/10.1021/...
Novatis' public surrogate datasets
Interesting thread! I'll add Novartis' recent approach of releasing "surrogate datasets", which are publicly available molecules for which they ran their internal model's predictions: 16K on 4 CYP inhibition assays, 274K on 25 ADME end points. See this talk: youtu.be/LPYk1Jy2E1c?...
#compchem
#compchem
Thank you! And yes I'm following Andreas' YouTube channel, cheers
I'm surprised I didn't know about this before, seems like a great series. Are seminars recorded by any chance? And thanks for posting cheminformatics course content too, I might use this for future students!
#compchem
#compchem
Could you please add me? Thanks for starting this one!
About Mol* Suite of tools for 3D molecular data on the web Custom WebGL rendering engine Scales from single atoms to cells with billions Wanted nicer lighting that still scales βPath-tracedβ SSGI Screen-space, so OK with billions of atoms Sample-based, so good to adjust quality
Gave a short presentation on Illuminating Molecules in #molstar at the November 2024 #WebGL & #WebGPU Meetup
www.khronos.org/events/webgl...
Thrilled to announce Boltz-1, the first open-source and commercially available model to achieve AlphaFold3-level accuracy on biomolecular structure prediction! An exciting collaboration with Jeremy, Saro, and an amazing team at MIT and Genesis Therapeutics. A thread!
You could add @farzanejp.bsky.social too
Very interesting benchmark of 13 state-of-the-art protein-ligand binding site prediction, including geometry-based, energy-based and #machinelearning methods.
jcheminf.biomedcentral.com/articles/10....
#chemsky #compchem
#compchem
Save the date: I'm happy to announce that the 2025 RDKit UGM will take place in Prague, Czechia from 10-12 September.
The organizers are Martin Ε Γcho and Daniel Svozil from the University of Chemistry and Technology in Prague.
Registration details will follow early next year.
π¨The future Pereira lab is hiring!
We will start at @vibai.bsky.social in Feb 2025 and are looking for a postdoc to join our team π€
If you want to leverage AI and large networks to explore and understand the protein universe π, check below!
*deadline: 21 Nov 2024*
jobs.vib.be/j/93314/post...
Interested in the open source software ecosystem for drug discovery? Give the Open Molecular Software Foundation (@omsf.bsky.social) a follow!
