Virtual Screening Strategies in Drug Design
نویسندگان
چکیده
منابع مشابه
Virtual screening strategies in drug design – methods and applications
Virtual screening (VS) overcomes the limitations of traditional high-throughput screening (HTS) by applying computer-based methods in drug discovery. VS takes advantage of fast algorithms to filter chemical space and successfully select potential drug candidates. A key aspect in structure-based VS is the sampling of ligand-receptor conformations and the evaluation of these poses to predict near...
متن کاملVirtual Screening: A Fast Tool for Drug Design
Computational screening of databases has become increasingly popular in the pharmaceutical research. Virtual screening uses computer based methods to discover new ligands on the basis of biological structures. Virtual screening is divided into structural based screening (docking) and screening using active compounds as templates (ligand based virtual screening). Ligand based screening technique...
متن کاملVirtual screening and its integration with modern drug design technologies.
Drug discovery is a highly complex and costly process, which demands integrated efforts in several relevant aspects involving innovation, knowledge, information, technologies, expertise, R&D investments and management skills. The shift from traditional to genomics- and proteomics-based drug research has fundamentally transformed key R&D strategies in the pharmaceutical industry addressed to the...
متن کاملDocking, virtual high throughput screening and in silico fragment-based drug design
The drug discovery process has been profoundly changed recently by the adoption of computational methods helping the design of new drug candidates more rapidly and at lower costs. In silico drug design consists of a collection of tools helping to make rational decisions at the different steps of the drug discovery process, such as the identification of a biomolecular target of therapeutical int...
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ژورنال
عنوان ژورنال: Revista Virtual de Química
سال: 2012
ISSN: 1984-6835
DOI: 10.5935/1984-6835.20120055