CYP 2D6 Binding Affinity Predictions Using Multiple Ligand and Protein Conformations
Because of the large flexibility and malleability of Cytochrome P450 enzymes (CYPs), in silico prediction of CYP binding affinities to drugs and other xenobiotic compounds is a true challenge. In the current work, we use an iterative linear interaction energy (LIE) approach to compute CYP binding af...
| Main Authors: | , , , |
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| Format: | Online |
| Language: | English |
| Published: |
Molecular Diversity Preservation International (MDPI)
2013
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3876125/ |