ABSTRACT

Many of the computational techniques we use are those which have been historically used to interpret drug-receptor interactions. 25 •26 Dean27 has given an extensive presentation of the use of pharmacological and molecular modeling techniques in drug design, while Lenz et al. 28 have included a survey of molecular modeling applications in their monograph on opiates. Boyd29

has summarized some particularly successful uses of molecular modeling in drug and agrochernical design, and Weinstein et al. 30 have demonstrated the use of the ab initio molecular electrostatic potential to predict the biological activity of congeners of 5-hydroxytryptarnine.