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000945120 0247_ $$a10.1007/978-981-15-6815-2.$$2doi
000945120 035__ $$aSP(OCoLC)on1203212327
000945120 035__ $$aSP(OCoLC)1203212327$$z(OCoLC)1200197352
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000945120 050_4 $$aRM1-950
000945120 08204 $$a615$$223
000945120 24500 $$aComputer-Aided Drug Design /$$cedited by Dev Bukhsh Singh.
000945120 250__ $$a1st ed. 2020.
000945120 264_1 $$aSingapore :$$bSpringer Singapore :$$bImprint: Springer,$$c2020.
000945120 300__ $$a1 online resource (xiii, 306 pages) :$$billustrations.
000945120 336__ $$atext$$btxt$$2rdacontent
000945120 337__ $$acomputer$$bc$$2rdamedia
000945120 338__ $$aonline resource$$bcr$$2rdacarrier
000945120 5050_ $$a1 Computational Approaches in Drug Discovery and Design -- 2 Molecular Modeling of Proteins: Methods, Recent Advances and Future Prospects -- 3 Cavity/Binding Site Prediction Approaches, and their Applications -- 4 Role of ADMET Tools in Current Scenario; Application and Limitations -- 5 Database Resources for Drug Discovery -- 6 Molecular Docking and Structure-Based Drug Design -- 7 Molecular Dynamics Simulation of Protein and Protein-Ligand Complexes -- 8 Computational Approaches for Drug Target Identification -- 9 Computational Screening Techniques for Lead Design and Development -- 10 Advances in Pharmacophore Modeling and its Role in Drug Designing -- 11 In Silico Designing of Vaccines: Methods, Tools and Their Limitations -- 12 Machine learning Approaches to Rational Drug Design. .
000945120 506__ $$aAccess limited to authorized users.
000945120 520__ $$aThis book provides up-to-date information on bioinformatics tools for the discovery and development of new drug molecules. It discusses a range of computational applications, including three-dimensional modeling of protein structures, protein-ligand docking, and molecular dynamics simulation of protein-ligand complexes for identifying desirable drug candidates. It also explores computational approaches for identifying potential drug targets and for pharmacophore modeling. Moreover, it presents structure- and ligand-based drug design tools to optimize known drugs and guide the design of new molecules. The book also describes methods for identifying small-molecule binding pockets in proteins, and summarizes the databases used to explore the essential properties of drugs, drug-like small molecules and their targets. In addition, the book highlights various tools to predict the absorption, distribution, metabolism, excretion (ADME) and toxicity (T) of potential drug candidates. Lastly, it reviews in silico tools that can facilitate vaccine design and discusses their limitations.
000945120 650_0 $$aPharmacology.
000945120 650_0 $$aBioinformatics.
000945120 650_0 $$aChemistry.
000945120 7001_ $$aSingh, Dev Bukhsh.,$$eeditor.
000945120 77608 $$iPrint version: $$z9811568146$$z9789811568145$$w(OCoLC)1156996305
000945120 852__ $$bebk
000945120 85640 $$3SpringerLink$$uhttps://univsouthin.idm.oclc.org/login?url=http://link.springer.com/10.1007/978-981-15-6815-2$$zOnline Access$$91397441.1
000945120 909CO $$ooai:library.usi.edu:945120$$pGLOBAL_SET
000945120 980__ $$aEBOOK
000945120 980__ $$aBIB
000945120 982__ $$aEbook
000945120 983__ $$aOnline
000945120 994__ $$a92$$bISE