Molecular orbital studies on the conformation of phospholipids EHT calculations on the polar end

Abstract

Recently, semiempirical quantum chemical theories have been used extensively, to study the conformational structure of three major classes of biological molecules: polypeptides, nucleic acids and polysaccharides [l] . In view of the limitations imposed by the computers presently available, such calculations have been performed at a submolecular level but nevertheless have been very successful in predicting stable conformations and metastable structures which may be involved in biological processes. The limitations of the earlier calculations based on classical potential functions as opposed to the quantum chemical calculations, are also well recognised.