Project Team: Paul Rowley (PI), Jagdish Patel

Start Date: April 1, 2018

This Modeling Access Grant (MAG) is to:

  • build homology models for four toxin sequences based upon the KP4 toxin (~150 amino acid residues) crystal structure,
  • run one micro second long molecular dynamics simulations of four homology models and KP4 toxin, and
  • analyze simulations.