Machine learning based detection of genetic and drug class variant impact on functionally conserved protein binding dynamics
G. A. Babbitt, E. P. Fokoue, J. R. Evans, K. I. Diller, L. E. Adams
This paper introduces DROIDS v3.0, a tool combining MD simulations and machine learning to analyze protein dynamics, identifying conserved regions and variant impacts on function.
bioRxiv · Sep 5, 2019 · PreprintBiophysics