In silico drug discovery approaches on grid computing infrastructures.

Abstract

The first step in finding a "drug" is screening chemical compound databases against a protein target. In silico approaches like virtual screening by molecular docking are well established in modern drug discovery. As molecular databases of compounds and target structures are becoming larger and more and more computational screening approaches are available… (More)

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Cite this paper

@article{Wolf2010InSD, title={In silico drug discovery approaches on grid computing infrastructures.}, author={Antje Wolf and Mohammad Shahid and Vinod Kasam and Wolfgang Ziegler and Martin Hofmann-Apitius}, journal={Current clinical pharmacology}, year={2010}, volume={5 1}, pages={37-46} }