Diffusion Models for Protein Conformational Change Modelling

[vsomnath]

Hi,

Thank you for your efforts in compiling this resource! I just wanted to add our recent work on diffusion bridges, with applications both in cellular differentiation processes and protein conformational changes (from apo to holo structures)

Link: https://arxiv.org/abs/2302.11419 Code: https://github.com/vsomnath/aligned_diffusion_bridges

[vsomnath]

Related work in a similar vein of sampling transition paths:

Stochastic Optimal Control for Collective Variable Free Sampling of Molecular Transition Paths: https://arxiv.org/abs/2207.02149

[sacdallago]

Thx I'll read over and try to categorise