Innovations and implementations of computer aided drug discovery strategies in rational drug design / Sanjeev Kumar Singh, editor.
Singh, Sanjeev Kumar, editor.
2021
RS418
Available Online

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Title Innovations and implementations of computer aided drug discovery strategies in rational drug design / Sanjeev Kumar Singh, editor.
ISBN 9789811589362 (electronic bk.)
9811589364 (electronic bk.)
9811589356
9789811589355
DOI https://doi.org/10.1007/978-981-15-8936-2
Published Singapore : Springer, 2021.
Language English
Description 1 online resource (vii, 333 pages) : illustrations (some color)
Other Standard Identifiers 10.1007/978-981-15-8936-2 doi
Call Number RS418
Dewey Decimal Classification 615.1/9
570.285
Summary This 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.
Access Note Access limited to authorized users.
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PDF
Added Author Singh, Sanjeev Kumar, editor.
Available in Other Form Print version: 9811589356
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Chapter 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.

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