Integrating Virtual Screening Methods to the Quest for Novel Membrane Protein Ligands

High-throughput screening (HTS) for central nervous system (CNS) agents has emerged as a driving force in the identification of potential novel lead structures. Various virtual screening techniques complement these efforts. Computer-assisted classi-fication and visualization of HTS data, similarity searching routines, pharmacophore modeling, the rational shaping of compound libraries, and de novo design suggestions can provide useful information...