In silico methods with use of bioinformatics are in increasing demand in drug discovery and development that can identify and analyze active sites and suggest potential drug molecules that can bind to these sites specifically. They analyze the target structures for possible binding sites, generate candidate molecules, check for their drug likeness, dock these molecules with the target, rank them according to their binding affinities, further optimize the molecules to improve binding characteristics.
Related Journals of In Silico Methods
Nanomedicine & Biotherapeutic Discovery, Biodiscovery, Nature Reviews Drug Discovery, Drug Discovery Today, Current Opinion in Drug Discovery and Development, Perspectives in Drug Discovery and Design, Expert Opinion on Drug Discovery, Drug Discovery Today: Technologies, Current Drug Discovery Technologies, Recent Patents on Anti-Cancer Drug Discovery, Recent Patents on CNS Drug Discovery.