Using Homology Modeling and MD Simulations to Explore Structural Properties of Putative Yeast Toxins
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.