quantitative structure-activity relationship (QSAR).
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Drug Discovery and Design: Focus on computational approaches used in the discovery and design of new drugs
Abstract: Computational approaches have revolutionized the field of drug discovery and design, offering efficient and cost-effective strategies for identifying and developing new therapeutics. This review article explores the application of computational methods in drug discovery, with a focus on virtual screening techniques, molecular docking, molecular dynamics simulations, and quantitative structure-activity relationship (QSAR) models. Virtual screening plays a crucial role in narrowing down large chemical libraries by utilizing ligand-based and structure-based approaches. …
Published in Research and Reviews : Journal of Computational Biology · Vol. 12, Issue 1, 2023 · pp. 26–30 Read article