001470189 000__ 04728cam\\22006257i\4500
001470189 001__ 1470189
001470189 003__ OCoLC
001470189 005__ 20230803003406.0
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001470189 008__ 230705s2023\\\\sz\a\\\\o\\\\\001\0\eng\d
001470189 019__ $$a1389341388
001470189 020__ $$a9783031338717$$q(electronic bk.)
001470189 020__ $$a3031338715$$q(electronic bk.)
001470189 020__ $$z9783031338700
001470189 020__ $$z3031338707
001470189 0247_ $$a10.1007/978-3-031-33871-7$$2doi
001470189 035__ $$aSP(OCoLC)1389416893
001470189 040__ $$aGW5XE$$beng$$erda$$epn$$cGW5XE$$dYDX$$dEBLCP
001470189 049__ $$aISEA
001470189 050_4 $$aRM301.25
001470189 08204 $$a615.190113$$223/eng/20230705
001470189 24500 $$aCurrent trends in computational modeling for drug discovery /$$cSupratik Kar, Jerzy Leszczynski, editors.
001470189 264_1 $$aCham :$$bSpringer,$$c2023.
001470189 300__ $$a1 online resource (xv, 301 pages) :$$billustrations (some color).
001470189 336__ $$atext$$btxt$$2rdacontent
001470189 337__ $$acomputer$$bc$$2rdamedia
001470189 338__ $$aonline resource$$bcr$$2rdacarrier
001470189 4901_ $$aChallenges and advances in computational chemistry and physics,$$x2542-4483 ;$$vvolume 35
001470189 500__ $$aIncludes index.
001470189 5050_ $$aSBDD and its challenges -- In silico discovery of class IIb HDAC inhibitors: The state of art -- Role of computational modelling in drug discovery for Alzheimer's disease -- Computational Modeling in the Development of Antiviral Agents -- Targeted computational approaches to identify potential inhibitors for Nipah virus -- Role of Computational Modelling in Drug Discovery for HIV -- Recent insight of the emerging severe fever with thrombocytopenia syndrome virus: drug discovery, therapeutic options, and limitations -- Computational toxicological aspects in drug design and discovery, screening adverse effects -- Read-Across and RASAR tools from the DTC Laboratory -- Databases for Drug Discovery and Development.
001470189 506__ $$aAccess limited to authorized users.
001470189 520__ $$aThis contributed volume offers a comprehensive discussion on how to design and discover pharmaceuticals using computational modeling techniques. The different chapters deal with the classical and most advanced techniques, theories, protocols, databases, and tools employed in computer-aided drug design (CADD) covering diverse therapeutic classes. Multiple components of Structure-Based Drug Discovery (SBDD) along with its workflow and associated challenges are presented while potential leads for Alzheimer's disease (AD), antiviral agents, anti-human immunodeficiency virus (HIV) drugs, and leads for Severe Fever with Thrombocytopenia Syndrome Virus (SFTSV) disease are discussed in detail. Computational toxicological aspects in drug design and discovery, screening adverse effects, and existing or future in silico tools are highlighted, while a novel in silico tool, RASAR, which can be a major technique for small to big datasets when not much experimental data are present, is presented. The book also introduces the reader to the major drug databases covering drug molecules, chemicals, therapeutic targets, metabolomics, and peptides, which are great resources for drug discovery employing drug repurposing, high throughput, and virtual screening. This volume is a great tool for graduates, researchers, academics, and industrial scientists working in the fields of cheminformatics, bioinformatics, computational biology, and chemistry.
001470189 588__ $$aOnline resource; title from PDF title page (SpringerLink, viewed July 5, 2023).
001470189 650_0 $$aDrug development$$xData processing.
001470189 650_0 $$aDrug development$$xComputer simulation.
001470189 655_0 $$aElectronic books.
001470189 7001_ $$aKar, Supratik,$$eeditor.$$1https://orcid.org/0000-0002-9411-2091
001470189 7001_ $$aLeszczynski, Jerzy,$$d1949-$$eeditor.$$1https://orcid.org/0000-0001-5290-6136
001470189 77608 $$iPrint version: $$z3031338707$$z9783031338700$$w(OCoLC)1377272705
001470189 830_0 $$aChallenges and advances in computational chemistry and physics ;$$v35.$$x2542-4483
001470189 852__ $$bebk
001470189 85640 $$3Springer Nature$$uhttps://univsouthin.idm.oclc.org/login?url=https://link.springer.com/10.1007/978-3-031-33871-7$$zOnline Access$$91397441.1
001470189 909CO $$ooai:library.usi.edu:1470189$$pGLOBAL_SET
001470189 980__ $$aBIB
001470189 980__ $$aEBOOK
001470189 982__ $$aEbook
001470189 983__ $$aOnline
001470189 994__ $$a92$$bISE