Improved side-chain modeling for protein-protein docking.

  title={Improved side-chain modeling for protein-protein docking.},
  author={Chu Wang and Ora Schueler-Furman and David Baker},
  journal={Protein science : a publication of the Protein Society},
  volume={14 5},
Success in high-resolution protein-protein docking requires accurate modeling of side-chain conformations at the interface. Most current methods either leave side chains fixed in the conformations observed in the unbound protein structures or allow the side chains to sample a set of discrete rotamer conformations. Here we describe a rapid and efficient method for sampling off-rotamer side-chain conformations by torsion space minimization during protein-protein docking starting from discrete… CONTINUE READING