{"product_id":"9783527351664-computational-drug-discovery-methods-a","title":"Computational Drug Discovery, 2 Volumes","description":"\u003cmeta content=\"text\/html; charset=utf-8\" http-equiv=\"Content-Type\"\u003e\u003cp\u003e\u003cspan\u003eMethods and Applications\u003cbr\u003e\u003cp\u003e\u003cb\u003eComputational Drug Discovery\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e\u003cb\u003eA comprehensive resource that explains a wide array of computational technologies and methods driving innovation in drug discovery\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e\u003ci\u003eComputational Drug Discovery: Methods and Applications\u003c\/i\u003e (2 volume set) covers a wide range of cutting-edge computational technologies and computational chemistry methods that are transforming drug discovery. The book delves into recent advances, particularly focusing on artificial intelligence (AI) and its application for protein structure prediction, AI-enabled virtual screening, and generative modeling for compound design. Additionally, it covers key technological advancements in computing such as quantum and cloud computing that are driving innovations in drug discovery.\u003c\/p\u003e \u003cp\u003eFurthermore, dedicated chapters that addresses the recent trends in the field of computer aided drug design, including ultra-large-scale virtual screening for hit identification, computational strategies for designing new therapeutic modalities like PROTACs and covalent inhibitors that target residues beyond cysteine are also presented.\u003c\/p\u003e \u003cp\u003eTo offer the most up-to-date information on computational methods utilized in \u003ci\u003eComputational Drug Discovery,\u003c\/i\u003e it covers chapters highlighting the use of molecular dynamics and other related methods, application of QM and QM\/MM methods in computational drug design, and techniques for navigating and visualizing the chemical space, as well as leveraging big data to drive drug discovery efforts.\u003c\/p\u003e \u003cp\u003eThe book is thoughtfully organized into eight thematic sections, each focusing on a specific computational method or technology applied to drug discovery. Authored by renowned experts from academia, pharmaceutical industry, and major drug discovery software providers, it offers an overview of the latest advances in \u003ci\u003ecomputational drug discovery\u003c\/i\u003e.\u003c\/p\u003e \u003cp\u003eKey topics covered in the book include:\u003c\/p\u003e \u003cul\u003e\n\u003cli\u003eApplication of molecular dynamics simulations and related approaches in drug discovery\u003c\/li\u003e\n\u003cli\u003eThe application of QM, hybrid approaches such as QM\/MM, and fragment molecular orbital framework for understanding protein-ligand interactions\u003c\/li\u003e\n\u003cli\u003eAdoption of artificial intelligence in pre-clinical drug discovery, encompassing protein structure prediction, generative modeling for \u003ci\u003ede novo\u003c\/i\u003e design, and virtual screening.\u003c\/li\u003e\n\u003cli\u003eTechniques for navigating and visualizing the chemical space, along with harnessing big data to drive drug discovery efforts.\u003c\/li\u003e\n\u003cli\u003eMethods for performing ultra-large-scale virtual screening for hit identification.\u003c\/li\u003e\n\u003cli\u003eComputational strategies for designing new therapeutic models, including PROTACs and molecular glues.\u003c\/li\u003e\n\u003cli\u003eIn silico ADMET approaches for predicting a variety of pharmacokinetic and physicochemical endpoints.\u003c\/li\u003e\n\u003cli\u003eThe role of computing technologies like quantum computing and cloud computing in accelerating drug discovery\u003c\/li\u003e\n\u003c\/ul\u003e \u003cp\u003eThis book will provide readers an overview of the latest advancements in \u003ci\u003eComputational Drug Discovery\u003c\/i\u003e and serve as a valuable resource for professionals engaged in drug discovery.\u003c\/p\u003e\n\u003cbr\u003e\u003cbr\u003e\u003c\/span\u003e\u003c\/p\u003e","brand":"Rarewaves","offers":[{"title":"Default Title","offer_id":41532880388193,"sku":"9783527351664","price":272.09,"currency_code":"GBP","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0092\/7504\/8033\/files\/orig_28572471.jpg?v=1722705292","url":"https:\/\/www.rarewaves.com\/products\/9783527351664-computational-drug-discovery-methods-a","provider":"Rarewaves.com","version":"1.0","type":"link"}