A novel pharmacophore definition procedure is described, which uses a Monte Carlo method to superimpose molecules. Pharmacophore space is searched by a technique similar to high temperature annealing. Subsequent refinement of candidate pharmacophores by energy minimization produces low-energy conformations that may be involved in receptor binding. The method has been applied to compounds that bind to the human platelet-activating factor (PAF) receptor. Alternative binding site models for the PAF receptor are presented and discussed. © 1993 ESCOM Science Publishers B.V.
CITATION STYLE
Hodgkin, E. E., Miller, A., & Whittaker, M. (1993). A Monte Carlo pharmacophore generation procedure: Application to the human PAF receptor. Journal of Computer-Aided Molecular Design, 7(5), 515–534. https://doi.org/10.1007/BF00124360
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