Methods and Algorithms for Molecular Docking-Based Drug Design and Discovery

Methods and Algorithms for Molecular Docking-Based Drug Design and Discovery

Author: Dastmalchi, Siavoush

Publisher: IGI Global

ISBN: 9781522501169

Category: Medical

Page: 456

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The role of technology in the medical field has resulted in significant developments within the pharmaceutical industry. Computational approaches have emerged as a crucial method in further advancing drug design and development. Methods and Algorithms for Molecular Docking-Based Drug Design and Discovery presents emerging research on the application of computer-assisted design methods for drugs, emphasizing the benefits and improvements that molecular docking has caused within the pharmaceutical industry. Focusing on validation methods, search algorithms, and scoring functions, this book is a pivotal resource for professionals, researchers, students, and practitioners in the field of theoretical and computational chemistry.
Methods and Algorithms for Molecular Docking-Based Drug Design and Discovery
Language: en
Pages: 456
Authors: Dastmalchi, Siavoush
Categories: Medical
Type: BOOK - Published: 2016-05-03 - Publisher: IGI Global

The role of technology in the medical field has resulted in significant developments within the pharmaceutical industry. Computational approaches have emerged as a crucial method in further advancing drug design and development. Methods and Algorithms for Molecular Docking-Based Drug Design and Discovery presents emerging research on the application of computer-assisted
Applied Case Studies and Solutions in Molecular Docking-Based Drug Design
Language: en
Pages: 388
Authors: Siavoush Dastmalchi, Maryam Hamzeh-Mivehroud, Babak Sokouti
Categories: Medical
Type: BOOK - Published: 2016-04-29 - Publisher: Medical Information Science Reference

As the pharmaceutical industry continues to advance, new techniques in drug design are emerging. In order to deliver optimum care to patients, the development of innovative pharmacological techniques has become a widely studied topic. Applied Case Studies and Solutions in Molecular Docking-Based Drug Design is a pivotal reference source for
Molecular Docking
Language: en
Pages: 188
Authors: Dimitrios Vlachakis
Categories: Science
Type: BOOK - Published: 2018-07-11 - Publisher: BoD – Books on Demand

Molecular docking has always been and will be on the forefront of developments in the eminent field of drug design and medicinal chemistry. At the early days, drug discovery was based on blackboard drawings and expert intuition. However, as times move on, the amount of available information and overall knowledge
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
In Silico Drug Design
Language: en
Pages: 886
Authors: Kunal Roy
Categories: Business & Economics
Type: BOOK - Published: 2019-02-12 - Publisher: Academic Press

In Silico Drug Design: Repurposing Techniques and Methodologies explores the application of computational tools that can be utilized for this approach. The book covers theoretical background and methodologies of chem-bioinformatic techniques and network modeling and discusses the various applied strategies to systematically retrieve, integrate and analyze datasets from diverse sources.