FCCC LOGO Faculty Publications
Glusker JP
Intermolecular Interactions around Functional-Groups in Crystals - Data for Modeling the Binding of Drugs to Biological Macromolecules
Acta Crystallographica Section D-Biological Crystallography. 1995 Jul 1;51 :418-427
PMID: ISI:A1995RP97100003   
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When a small biologically active molecule enters the body it has the possibility of interacting with one or many of the large variety of macromolecules that are present. This interaction involves a unique complementary fit between the two that depends not only on the shape, but also on the distribution of charges on the surfaces of both [Fischer (1894). Ber. Dtsch. Chem. Ges. 27, 2984-2993]. This recognition between two molecules may elicit a biological response and such processes are the subject of biochemical investigations. The question asked here is: what geometrical information on distances and relative orientations of interacting non-bonded functional groups can be found from X-ray crystallographic investigations?
Times Cited: 24 Article 4 RP971 ACTA CRYSTALLOGR D-BIOL CRYST