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Can 'real-lab' supersede 'virtual-ligand' promises?

2002; Elsevier BV; Volume: 23; Issue: 6 Linguagem: Inglês

10.1016/s0165-6147(02)02026-6

1873-3735

Alan Wiseman, Len Woods,

Bioinformatics and Genomic Networks

Molecular modellers seek to develop software that produces data in silico to identify the desirable output of molecular structures derived from protein ligand targeting. Combinatorial synthesis (combichem) can then be coupled to high-throughput screening (HTS) to select efficiently those molecules that display promise as therapeutic drugs [ 1. DePalma A. A winning combination?. Chemistry & Industry. 2001; 24: 799-800 Google Scholar ].