Membrane Remodeling by the Collective Action of Caveolin-1 Caveolin-1 proteins scaffold 50-100nm large invaginations in the plasma membrane to mediate critical cellular processes. As revealed recently by cryo-electron microscopy, several caveolin-1 protomers ...

Our new work "Membrane Remodeling by the Collective Action of Caveolin-1" is now online on biorxiv!
We developed a bottom-up coarse-grained model to show how caveolin complexes cooperatively bend the membrane and form large invaginations.
www.biorxiv.org/content/10.1...

A Hybrid Bottom-Up and Data-Driven Machine Learning Approach for Accurate Coarse-Graining of Large Molecular Complexes Bottom-up coarse-graining refers to the development of low-resolution simulation models that are thermodynamically consistent with certain distributions from fully atomistic simulations. Force-matchin...

Our new paper is out:

A Hybrid Bottom-Up and Data-Driven Machine Learning Approach for Accurate Coarse-Graining of Large Molecular Complexes | Journal of Chemical Theory and Computation pubs.acs.org/doi/10.1021/...

I have developed a new AI model to describe the sequence-dependent structure and deformability of DNA. Check out previous post!

Deciphering DNA's sequence-dependent structure and deformability with normalizing flows The sequence-dependent structure and deformability of double-stranded DNA plays a key role in many cellular processes. Accurate description thereof has thus been a long-standing problem. Previous appr...

www.biorxiv.org/content/10.1...