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020 _a9789811589362
024 7 _a10.1007/978-981-15-8936-2
_2doi
040 _aES-MaUEC
_bspa
_cES-MaUEC
_dES-MaUEC
050 4 _aRS418
_b2021 EB
245 0 0 _aInnovations and Implementations of Computer Aided Drug Discovery Strategies in Rational Drug Design
_cedited by Sanjeev Kumar Singh
250 _aFirst edition 2021
264 1 _aSingapore
_bSpringer International Publising
_c2021
300 _a1 recurso en línea (VII, 333 páginas)
_b79 ilustraciones, 56 ilustraciones a color
336 _2rdacontent
_aTexto
_btxt
337 _2rdamedia
_aelectrónico
_bc
338 _2rdacarrier
_arecurso electrónico
_bcr
347 _atext file
_bPDF
_2rda
505 0 _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.
520 3 _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.
988 _aSpringer_Computer_2021
650 7 _2embne
_9395061
_aMedicamentos
_xDiseño
650 7 _2embne
_aInformática médica
_9421154
700 1 _aSingh, Sanjeev Kumar
_eeditor literario
_4edt
_4http://id.loc.gov/vocabulary/relators/edt
710 2 _aSpringerLink
776 0 8 _iPrinted edition:
_z9789811589355
776 0 8 _iPrinted edition:
_z9789811589379
776 0 8 _iPrinted edition:
_z9789811589386
856 4 0 _uhttps://go.openathens.net/redirector/universidadeuropea.es?url=https://doi.org/10.1007/978-981-15-8936-2
_zAcceso a este recurso digital (usuarios Universidad Europea de Madrid)
942 _2lcc
_cLE
998 _b05/2021
_dz
_ek
_zSI