Surveying molecular interactions with DOT

  title={Surveying molecular interactions with DOT},
  author={Lynn F Ten Eyck and Jeffrey Mandell and Victoria A. Roberts and Michael E. Pique},
The purpose of the molecular interaction program DOT (Daughter of Turnip) is rapid computation of the electrostatic potential energy between two proteins or other charged molecules. DOT exhaustively tests all six degrees of freedom, rotational and translational, and produces a grid of approximate interaction energies and orientations. It is able to do this because the problem is cast as the convolution of the potential field of the first molecule and any rotated charge distribution of the… CONTINUE READING


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