Software

Github: https://github.com/CUNY-CSI-Loverde-Laboratory/conditional_activity

This code kinetically maps changes in dihedral angle states for protein sidechains and sugar base torsional angles for DNA.  It requires long MD trajectories.

"Mapping Allosteric Communication in the Nucleosome with Conditional Activity," Augustine Onyema, Chukwuebuka Dikeocha*, Jonathan Moussa, Sharon M. Loverde, in prep.  Biorxiv, preprint. *undergraduate student