A virtual high throughput screen for high affinity cytochrome P450cam substrates. Implications for in silico prediction of drug metabolism
- 1 January 2001
- journal article
- Published by Springer Nature in Journal of Computer-Aided Molecular Design
- Vol. 15 (7) , 649-657
- https://doi.org/10.1023/a:1011911204383
Abstract
Structure-based virtual screening techniques requirereliable scoring functions to discriminate potential substrates effectively. In this study we compared the performance of GOLD, PMF, DOCK and FlexX...Keywords
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