CG models can be quickly (~s) and very accurately (<0.5 A, ~2 MolProbity score) reconstructed to atomistic structures using ML.
"One particle per residue is sufficient to describe all-atom protein structures" https://t.co/0v2Fke5Q9P
Some words of wisdom from this year's chemistry laureate David Baker, whose work has made it possible to design new proteins from scratch.
Read more and join us on tomorrow 8 December to hear his Nobel Prize lecture: https://t.co/10fEOSEDEr
Generative Modeling of Molecular Dynamics Trajectories | NeurIPS 24' |📸"molecular video"
- MDGEN, a flow-based model for MD trajectories, with various capabilities (forward simulation, interpolation, upsampling, and molecular design)
- Tokenize structure as Roto-Translation and Torsion Angles. Define known frames as key frames and represent other atoms in the trajectory as offsets
- Build based on Scalable Interpolant Transformer (SiT) and use Dirichlet flow matching to model amino acid identities
- Replace attention with Hyena and show proof-of-concept in Inpainting Design and 100k-frame trajectories
Link: https://t.co/Br1RKBcq1E
Github: https://t.co/B3ouoeq5GC
We have trained ESM3 and we're excited to introduce EvolutionaryScale.
ESM3 is a generative language model for programming biology. In experiments, we found ESM3 can simulate 500M years of evolution to generate new fluorescent proteins.
Read more: https://t.co/iAC3lkj0iV
Our team at BMS is seeking an expert in #NGS data analysis and #machinelearning for antibody therapeutics. If you're interested in this opportunity, don't miss out! #hiring
https://t.co/qmXe8rWttL
for the folks who missed @sokrypton's excellent presentation and discussion of #AlphaFold3 last week, you can now check out the recording 👇
https://t.co/12DhAJFUlR
Sharing an early preprint of my Microsoft AI4Science summer internship project. We developed SE(3) flow matching for protein backbone generation. Compared to SE(3) diffusion, we find our method achieves higher designability, faster sampling, with a way simpler implementation. 1/8
South Korean scientists’ outcry over planned R&D budget cuts.
In a nation with historically high levels of spending on research and development, the proposed cuts have provoked a strong response. https://t.co/K2ZDb0wTu6
“SaProt: Protein Language Modeling with Structure-aware Vocabulary”
An ESM1b-sized PLM pre-trained on structural data that outperforms other PLMs on various tasks
https://t.co/XmUb36qHsH
https://t.co/IUADYNQKnb
We are looking for a Project Manager 🧑💼👩💼to help us with the MDDB project implementation. Do you have knowledge about databases, data management, MD simulations and project management skills🔖? Would you like to join the team? Last days to apply 🗓️➡️
https://t.co/bXUkEwGLTS
Very excited that one of my major postdoc works has been just published online @PRX_Life ! The title of the paper is: From Effective Interactions Extracted Using Hi-C Data to Chromosome Structures in Conventional and Inverted Nuclei. More details in the following thread! [1/n]
The ESM models (including ESMFold!) have all been ported to @huggingface and will remain there even though the ESM team has been disbanded. We have example notebooks (look under 'Biological Sequences') if you've never tried it before! https://t.co/Y2zFrtXIVw
Statistical Mechanics: Theory and Molecular Simulation, 2nd Edition, now available on Amazon [https://t.co/hTQT0vPf9b] and will be available on Oxford University Press later this month for the electronic version, October for the hardcover version.