Determination of receptor-bound drug conformations by QSAR using flexible fitting to derive a molecular similarity index.
Carlos Alberto MontanariM. S. TuteA. E. BeezerJulie C. MitchellPublished in: J. Comput. Aided Mol. Des. (1996)
Keyphrases
- drug discovery
- similarity index
- drug design
- virtual screening
- chemical compounds
- image quality assessment
- biological systems
- protein structure prediction
- scientific data
- rand index
- segmented images
- protein folding
- systems biology
- protein structure
- image quality
- data mining tools
- image database
- image processing
- image data