Molecular characterization of the MT-Bound N-Clamp complex interface via atomistic Molecular Dynamics simulations

This repository includes: GROMACS input files for reproducing the atomistic molecular dynamics simulations of the MT-bound N-clamp complex, including configuration and topology files (.itp, .tpr, .top, .mdp, .ndx, .cpt, .edr, .xtc), as well as trajectory data. Best-ranked structural models predicted by AlphaFold2. The analysis script used for the quantitative evaluation and plotting of the tubulin co-sedimentation assays. This script is also available with version control at: https://github.com/gt-biomodel/tubulin-co-sedimentation-plots