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001434563 001__ 1434563
001434563 003__ OCoLC
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001434563 020__ $$a9789811589362$$q(electronic bk.)
001434563 020__ $$a9811589364$$q(electronic bk.)
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001434563 0247_ $$a10.1007/978-981-15-8936-2$$2doi
001434563 035__ $$aSP(OCoLC)1240617098
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001434563 049__ $$aISEA
001434563 050_4 $$aRS418
001434563 08204 $$a615.1/9$$223
001434563 08204 $$a570.285$$223
001434563 24500 $$aInnovations and implementations of computer aided drug discovery strategies in rational drug design /$$cSanjeev Kumar Singh, editor.
001434563 264_1 $$aSingapore :$$bSpringer,$$c2021.
001434563 300__ $$a1 online resource (vii, 333 pages) :$$billustrations (some color)
001434563 336__ $$atext$$btxt$$2rdacontent
001434563 337__ $$acomputer$$bc$$2rdamedia
001434563 338__ $$aonline resource$$bcr$$2rdacarrier
001434563 347__ $$atext file
001434563 347__ $$bPDF
001434563 5050_ $$aChapter 1. CADD: Some success stories from Sanjeevini and the way forward -- Chapter 2. Virtual Screening: practical application of docking, consensus scoring and rescoring using binding free energy -- Chapter 3. Aspects Of Protein Structure, Function And Dynamics In Rational Drug Designing -- Chapter 4. Role of advanced computing in the drug discovery process -- Chapter 5. Protein structure, dynamics and assembly: Implications for drug discovery -- Chapter 6. Recent trends in computer-aided drug design -- Chapter 7. Predicting Protein Folding and Protein Stability by Molecular Dynamics Simulations for Computational Drug Discovery -- Chapter 8. Magnitude and advancements of CADD in identifying therapeutic intervention against Flaviviruses -- Chapter 9. Elucidating protein-ligand interactions using high throughput biophysical techniques -- Chapter 10. In silico approach in drug design and drug discovery: An update -- Chapter 11. Biological Implications of Polyethylene Glycoland PEGylation: Therapautic Approaches Based on Biophysical Studies and Protein Structure-Based Drug Design Tools -- Chapter 12. Molecular Dynamics Simulation in Drug Discovery: Opportunities and Challenges -- Chapter 13. Theoretical characterization of intrinsically disordered proteins and relevant forcefields for them.
001434563 506__ $$aAccess limited to authorized users.
001434563 520__ $$aThis book presents various computer-aided drug discovery methods for the design and development of ligand and structure-based drug molecules. A wide variety of computational approaches are now being used in various stages of drug discovery and development, as well as in clinical studies. Yet, despite the rapid advances in computer software and hardware, combined with the exponential growth in the available biological information, there are many challenges that still need to be addressed, as this book shows. In turn, it shares valuable insights into receptor-ligand interactions in connection with various biological functions and human diseases. The book discusses a wide range of phylogenetic methods and highlights the applications of Molecular Dynamics Simulation in the drug discovery process. It also explores the application of quantum mechanics in order to provide better accuracy when calculating protein-ligand binding interactions and predicting binding affinities. In closing, the book provides illustrative descriptions of major challenges associated with computer-aided drug discovery for the development of therapeutic drugs. Given its scope, it offers a valuable asset for life sciences researchers, medicinal chemists and bioinformaticians looking for the latest information on computer-aided methodologies for drug development, together with their applications in drug discovery.
001434563 650_0 $$aDrugs$$xComputer-aided design.
001434563 650_0 $$aBioinformatics.
001434563 650_0 $$aProteins.
001434563 650_0 $$aComputational biology.
001434563 650_6 $$aMédicaments$$xConception assistée par ordinateur.
001434563 650_6 $$aBio-informatique.
001434563 650_6 $$aProtéines.
001434563 655_0 $$aElectronic books.
001434563 7001_ $$aSingh, Sanjeev Kumar,$$eeditor.
001434563 77608 $$iPrint version:$$z9811589356
001434563 852__ $$bebk
001434563 85640 $$3Springer Nature$$uhttps://univsouthin.idm.oclc.org/login?url=https://link.springer.com/10.1007/978-981-15-8936-2$$zOnline Access$$91397441.1
001434563 909CO $$ooai:library.usi.edu:1434563$$pGLOBAL_SET
001434563 980__ $$aBIB
001434563 980__ $$aEBOOK
001434563 982__ $$aEbook
001434563 983__ $$aOnline
001434563 994__ $$a92$$bISE