Flexible docking using Tabu search and an empirical estimate of binding affinity.

@article{Baxter1998FlexibleDU,
  title={Flexible docking using Tabu search and an empirical estimate of binding affinity.},
  author={Carol A. Baxter and Christopher W. Murray and David E. Clark and David R. Westhead and Matthew D. Eldridge},
  journal={Proteins},
  year={1998},
  volume={33 3},
  pages={367-82}
}
This article describes the implementation of a new docking approach. The method uses a Tabu search methodology to dock flexibly ligand molecules into rigid receptor structures. It uses an empirical objective function with a small number of physically based terms derived from fitting experimental binding affinities for crystallographic complexes. This means… CONTINUE READING