We introduce multiscale Markov state models (mMSMs), compact summaries of molecular dynamics (MD) simulation trajectories simultaneously capturing multiple temporal resolutions. In this example, we used mMSM to describe the folding process of the HP35 miniprotein: 1/3 #mMSM #MD

Cool work by Rod Lim’s lab on transport through nuclear pore complexes, the gateways to the nucleus, with contributions from our own Roi Eliasian, who developed a simulator to directly compare imaging data to our modeling. #npc #transport www.nature.com/articles/s41... m.youtube.com/watch?v=9FPX...

The integrative model enables us to visualize how the flexible FG chains lining the NPC’s central channel filter molecular traffic between the nucleus and the cytoplasm at picosecond resolution, well beyond the capabilities of any existing imaging technology. #NPC #transport

Years of work, finally out! Nuclear Pore Complexes (NPCs) are the gateways to the nucleus, but how can they be both rapid and picky, even for very large cargoes? To answer this question, we built the most detailed data-driven model to date of transport through NPCs. / www.pnas.org/doi/10.1073/...

Check out the TEMPO algorithm from our lab by the incredible Reshef Mintz. By recursively forecasting future timesteps from recent ones across scales, TEMPO accelerates the costly integration step of molecular dynamics, even for complex biomolecular processes such as nucleocytoplasmic transport.

Kudos to #kaplanlab@huji for this exciting work, identifying 1000s of genomic regions showing allele-specific DNA methylation, including novel cell-type-specific imprinted regions.

Characterizing single-cell and spatial data structure and identifying gaps in our knowledge of their annotations by analyzing deep learning training dynamics! Led by @jonathankarin.bsky.social and Reshef Mintz, with @ravehlab.bsky.social

1/3 Annotatability is out in Nature Computational Science! With Reshef Mintz, @ravehlab.bsky.social and @mornitzan.bsky.social www.nature.com/articles/s43...