AFMoCAdaptation of Fields for Molecular Comparison
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References in periodicals archive ?
The structure-activity relationships for 43 inhibitors of 1-deoxyxylulose-5-phosphate (DOXP) reductoisomerase, derived from protein-based docking, ligand-based 3D QSAR, and a combination of both approaches as realized by AFMoC (adaptation of fields for molecular comparison) have been presented by Silber et al.
Klebe, "AFMoC enhances predictivity of 3D QSAR: a case study with DOXPreductoisomerase," Journal of Medicinal Chemistry, vol.