Will ab initio and DFT drug design be practical in the 21st Century? A case study involving a structural analysis of the beta(2)-adrenergic G-proteincoupled receptor

On the basis of the historic development of computational chemistry and the history of the ab initio study of peptide conformations, it is concluded t hat ab initio and DFT drug design will be practical in the 21st century. Th e native conceptual input necessary for studies are exemplified for the cas e of beta(2)-adrenergic G-protein coupled receptor. (C) 1999 Elsevier Scien ce B.V. All rights reserved.