Computational Medicinal Chemistry. The legacy of the past, the reality of the present and the hopes of the future”.

R.D.ENRIZ

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM

Elsevier

Lugar: Amsterdam; Año: 2005 vol. 731 p. 163 - 172

0166-1280

This view point paper has attempted to penetrate a field of research in which the efforts of a large number of the most varied modern computational techniques are converging, that of computational medicinal chemistry. We have never been so close to realising the dream of the pharmaceutical industry: that we may be able to design new drugs from first principles. However, there are still enough unknown areas where computational medicinal chemists can successfully use their sagacity and creativity. A personal point of view on the present approaches aimed for a rational drug design is given here. Perspectives on future developments in this field are also outlined in this assessment.first principles. However, there are still enough unknown areas where computational medicinal chemists can successfully use their sagacity and creativity. A personal point of view on the present approaches aimed for a rational drug design is given here. Perspectives on future developments in this field are also outlined in this assessment.. However, there are still enough unknown areas where computational medicinal chemists can successfully use their sagacity and creativity. A personal point of view on the present approaches aimed for a rational drug design is given here. Perspectives on future developments in this field are also outlined in this assessment.