title: Connecting the virtual world of computers to the real world of medicinal chemistry.
abstract: Drug discovery involves the simultaneous optimization of chemical and biological properties, usually in a single small molecule, which modulates one of nature's most complex systems: the balance between human health and disease. The increased use of computer-aided methods is having a significant impact on all aspects of the drug-discovery and development process and with improved methods and ever faster computers, computer-aided molecular design will be ever more central to the discovery process.
authors: Unilever Centre for Molecular Sciences Informatics, University Chemical Laboratory, Lensfield Road, Cambridge, CB2 1EW, UK. rcg28@cam.ac.uk
authors: Robert C
authors: RC
authors: Glen
mesh_terms: D000465:Algorithms; D017076:Computer-Aided Design; D015195:Drug Design; D055808:Drug Discovery; D064420:Drug-Related Side Effects and Adverse Reactions; D006801:Humans; D056004:Molecular Dynamics Simulation