Progress in protein–protein docking: Atomic resolution predictions in the CAPRI experiment using RosettaDock with an improved treatment of side‐chain flexibility

@article{SchuelerFurman2005ProgressIP,
  title={Progress in protein–protein docking: Atomic resolution predictions in the CAPRI experiment using RosettaDock with an improved treatment of side‐chain flexibility},
  author={Ora Schueler‐Furman and Chu Wang and David Baker},
  journal={Proteins: Structure},
  year={2005},
  volume={60}
}
RosettaDock uses real‐space Monte Carlo minimization (MCM) on both rigid‐body and side‐chain degrees of freedom to identify the lowest free energy docked arrangement of 2 protein structures. An improved version of the method that uses gradient‐based minimization for off‐rotamer side‐chain optimization and includes information from unbound structures was used to create predictions for Rounds 4 and 5 of CAPRI. First, large numbers of independent MCM trajectories were carried out and the lowest… Expand
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