Methodology for protein-ligand binding studies: application to a model for drug resistance, the HIV/FIV protease system.

@article{Dominy1999MethodologyFP,
  title={Methodology for protein-ligand binding studies: application to a model for drug resistance, the HIV/FIV protease system.},
  author={Brian N. Dominy and Charles L. Brooks},
  journal={Proteins},
  year={1999},
  volume={36 3},
  pages={318-31}
}
A protocol for the rapid energetic analysis of protein-ligand complexes has been developed. This protocol involves the generation of protein-ligand complex ensembles followed by an analysis of the binding free energy components. We apply this methodology toward understanding the origin of binding specificity within the human immunodeficiency virus/feline immunodeficiency virus (HIV/FIV) protease system, a model system for drug resistance studies. A distinct difference in the internal strain of… CONTINUE READING