A review of protein-small molecule docking methods

@article{Taylor2002ARO,
  title={A review of protein-small molecule docking methods},
  author={Richard D. Taylor and Philip J. Jewsbury and Jonathan W. Essex},
  journal={Journal of Computer-Aided Molecular Design},
  year={2002},
  volume={16},
  pages={151-166}
}
The binding of small molecule ligands to large protein targets is central to numerous biological processes. The accurate prediction of the binding modes between the ligand and protein, (the docking problem) is of fundamental importance in modern structure-based drug design. An overview of current docking techniques is presented with a description of applications including single docking experiments and the virtual screening of databases. 
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583 Citations
Highly Influential Citations
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116
Methods Citations
60
Results Citations
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583 Citations

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Molecular docking is a study of how two or more molecular structures, for example drug and enzyme or receptor of protein, fit together, and the most important application of docking software is virtual screening.
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References

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