Computer-Aided Drug Design

Computer-Aided Drug Design

Author: Dev Bukhsh Singh

Publisher: Springer Nature

ISBN: 9789811568152

Category: Medical

Page: 306

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This 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.
Computer-Aided Drug Design
Language: en
Pages: 306
Authors: Dev Bukhsh Singh
Categories: Medical
Type: BOOK - Published: 2020-10-09 - Publisher: Springer Nature

This 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
Frontiers in Computational Chemistry: Volume 4
Language: en
Pages: 246
Authors: Zaheer Ul-Haq, Angela K. Wilson
Categories: Science
Type: BOOK - Published: 2018-10-03 - Publisher: Bentham Science Publishers

Frontiers in Computational Chemistry presents contemporary research on molecular modeling techniques used in drug discovery and the drug development process: computer aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the
Bioinformatics
Language: en
Pages: 510
Authors: Dev Bukhsh Singh, Rajesh Kumar Pathak
Categories: Business & Economics
Type: BOOK - Published: 2021-10-21 - Publisher: Academic Press

Bioinformatics: Methods and Applications provides a thorough and detailed description of principles, methods, and applications of bioinformatics in different areas of life sciences. It presents a compendium of many important topics of current advanced research and basic principles/approaches easily applicable to diverse research settings. The content encompasses topics such as
Frontiers in Protein Structure, Function, and Dynamics
Language: en
Pages: 452
Authors: Dev Bukhsh Singh, Timir Tripathi
Categories: Science
Type: BOOK - Published: 2020-07-02 - Publisher: Springer Nature

This book discusses a broad range of basic and advanced topics in the field of protein structure, function, folding, flexibility, and dynamics. Starting with a basic introduction to protein purification, estimation, storage, and its effect on the protein structure, function, and dynamics, it also discusses various experimental and computational structure
Frontiers in Natural Product Chemistry: Volume 6
Language: en
Pages: 206
Authors: Atta-ur-Rahman
Categories: Medical
Type: BOOK - Published: 2020-09-07 - Publisher: Bentham Science Publishers

Frontiers in Natural Product Chemistry is a book series devoted to publishing monographs that highlight important advances in natural product chemistry. The series covers all aspects of research in the chemistry and biochemistry of naturally occurring compounds, including research on natural substances derived from plants, microbes and animals. Reviews of