{"product_id":"computer-aided-and-machine-learning-driven-drug-design-ebook","title":"Computer-Aided and Machine Learning-Driven Drug Design","description":"\u003cp\u003eEchoes from the past, visions from the future: a journey into the Medicinal Chemistry and the Computational Drug Discovery.- Molecular Databases.- A Brief Introduction to Pharmacogenomics and Personalized Medicine in the Drug Design Context.- Machine Learning and Neural Networks Methods Applied to Drug Discovery.- Clustering of Small Molecules.- QSAR and Machine learning predictors.- Molecular docking: state-of-art scoring functions and search algorithms.- Drug Design in Motion: concepts and applications of classical Molecular Dynamics simulations.- Conformational sampling of proteins: methods for simulate protein plasticity and ensemble docking.- Free energy perturbation and free energy calculations ap-plied to drug design.- Ultra-large-scale Virtual Screening.- Experimental assays: chemical properties, biochemical and cellular assays, and in vivo evaluations.- Challenges faced in the development of computational methods for predicting pharmacokinetics behavior.- Exploring the Significance of Experimental and Computational Methods in Protein Structure Determination.- Molecular modeling strategies in drug design, development, and discovery targeting proteases.- Computational study of conformational changes in nuclear receptors upon ligand binding.- An Overview on Computational Methods Targeting the Endocannabinoid System.- Kinase Inhibitors and Computer-aided Drug Design Methods.- Prediction of Drug Metabolism with In Silico Models: A Case Study of Doping Detection.\u003c\/p\u003e","brand":"Vinícius Gonçalves Maltarollo","offers":[{"title":"Default Title","offer_id":53652854014279,"sku":"9783031767180","price":234.33,"currency_code":"EUR","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0920\/5455\/2903\/files\/computer-aided-and-machine-learning-driven-drug-de-ebook-cover.webp?v=1775383526","url":"https:\/\/www.cinebuch.de\/products\/computer-aided-and-machine-learning-driven-drug-design-ebook","provider":"CineBuch","version":"1.0","type":"link"}