AlphaFold2-RAVE: From sequence to Boltzmann ensemble
B. P. Vani, A. Aranganathan, D. Wang, P. Tiwary
AlphaFold2-RAVE generates thermodynamically ranked conformational ensembles using AlphaFold2 structures as initializations for AI-enhanced molecular dynamics simulations.
bioRxiv · May 25, 2022 · PreprintBiophysics