High throughput docking for library design and library prioritization.

@article{Diller2001HighTD,
  title={High throughput docking for library design and library prioritization.},
  author={David J. Diller and Kenneth M. Merz},
  journal={Proteins},
  year={2001},
  volume={43 2},
  pages={
          113-24
        }
}
The prioritization of the screening of combinatorial libraries is an extremely important task for the rapid identification of tight binding ligands and ultimately pharmaceutical compounds. When structural information for the target is available, molecular docking is an approach that can be used for prioritization. Here, we present the initial validation of a new rapid approach to molecular docking developed for prioritizing combinatorial libraries. The algorithm is tested on 103 individual… CONTINUE READING

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