Author: Mohane S. Coumar Publisher: Academic Press ISBN: 0128223138 Category : Medical Languages : en Pages : 522
Book Description
Molecular Docking for Computer-Aided Drug Design: Fundamentals, Techniques, Resources and Applications offers in-depth coverage on the use of molecular docking for drug design. The book is divided into three main sections that cover basic techniques, tools, web servers and applications. It is an essential reference for students and researchers involved in drug design and discovery. Covers the latest information and state-of-the-art trends in structure-based drug design methodologies Includes case studies that complement learning Consolidates fundamental concepts and current practice of molecular docking into one convenient resource
Author: N B Singh Publisher: Independently Published ISBN: Category : Science Languages : en Pages : 0
Book Description
Molecular Docking: A Formula Handbook is a comprehensive guide designed for researchers, scientists, and students delving into the intricate world of molecular docking. This handbook meticulously explores the theoretical foundations, algorithmic intricacies, and practical applications of molecular docking techniques. From the fundamental principles governing ligand-receptor interactions to the latest advancements in the field, the book offers a systematic and formulaic approach to understanding and applying molecular docking methodologies. Enriched with mathematical and chemical formulas, real-world examples, and detailed explanations, the handbook serves as an invaluable resource for those engaged in drug discovery, computational biology, and structural bioinformatics. Whether you are a seasoned professional or a newcomer to the field, this handbook equips you with the essential knowledge and formulas to navigate the complex landscape of molecular docking with precision and confidence.
Author: N.B. Singh Publisher: N.B. Singh ISBN: Category : Science Languages : en Pages : 156
Book Description
A Handbook of Molecular Docking is an accessible and comprehensive guide designed for absolute beginners. This book introduces the fundamental concepts and practical techniques of molecular docking, providing a step-by-step approach to understanding and performing docking studies. With a focus on clear explanations and non-mathematical descriptions, it covers essential topics such as molecular representations, docking algorithms, and the application of modern computational tools. Through illustrative examples and practical exercises, readers will gain the skills and confidence needed to explore the dynamic field of molecular docking and its applications in drug discovery and bioinformatics.
Author: Dastmalchi, Siavoush Publisher: IGI Global ISBN: 1522501169 Category : Medical Languages : en Pages : 456
Book Description
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.
Author: Amalia Stefaniu Publisher: BoD – Books on Demand ISBN: 1789840910 Category : Medical Languages : en Pages : 102
Book Description
This book clearly explains the principles of in silico tools of molecular docking and molecular dynamics. It provides examples of algorithms and procedures proposed by different software programs for visualizing and identifying potential interactions in complexes of biochemical interest. The book is structured in six chapters, each of which discusses different molecular simulation methodologies and provides concrete examples of complexes interactions. In each chapter authors give an overview of the treated subject, a description of the methodologies used, and a discussion of the results. The authors describe computational ways to achieve a rational design of bioactive compounds with various therapeutic applications, including antitumoral agents, antitubercular drugs, nonsteroidal anti-inflammatory drugs, and radiopharmaceuticals.
Author: Tamar Schlick Publisher: Springer Science & Business Media ISBN: 0387224645 Category : Science Languages : en Pages : 669
Book Description
Very broad overview of the field intended for an interdisciplinary audience; Lively discussion of current challenges written in a colloquial style; Author is a rising star in this discipline; Suitably accessible for beginners and suitably rigorous for experts; Features extensive four-color illustrations; Appendices featuring homework assignments and reading lists complement the material in the main text
Author: Mohini Gore Publisher: Springer Nature ISBN: 1071634410 Category : Medical Languages : en Pages : 357
Book Description
This second edition provides new and updated methods and techniques for identification of drug target, binding sites prediction, high- throughput virtual screening, lead discovery and optimization, conformational sampling, prediction of pharmacokinetic properties using computer-based methodologies. Chapters also focus on the application of the latest artificial intelligence technologies for computer aided drug discovery. Written in the format of the highly successful Methods in Molecular Biology series, each chapter includes an introduction to the topic, lists necessary methods, includes tips on troubleshooting and known pitfalls, and step-by-step, readily reproducible protocols. Authoritative and cutting-edge, Computational Drug Discovery and Design, Second Edition aims to effectively utilize computational methodologies in discovery and design of novel drugs.
Author: Vishwanath Gaitonde Publisher: BoD – Books on Demand ISBN: 1789239753 Category : Medical Languages : en Pages : 166
Book Description
The process of drug discovery and development is a complex multistage logistics project spanned over 10-15 years with an average budget exceeding 1 billion USD. Starting with target identification and synthesizing anywhere between 10k to 15k synthetic compounds to potentially obtain the final drug that reaches the market involves a complicated maze with multiple inter- and intra-operative fields. Topics described in this book emphasize the progresses in computational applications, pharmacokinetics advances, and molecular modeling developments. In addition the book also contains special topics describing target deorphaning in Mycobacterium tuberculosis, therapy treatment of some rare diseases, and developments in the pediatric drug discovery process.
Author: N.B. Singh Publisher: N.B. Singh ISBN: Category : Science Languages : en Pages : 226
Book Description
"Molecular Docking: A Formula Handbook" is a comprehensive and accessible guide that distills the intricate field of molecular docking into essential formulas. Tailored for students, researchers, and professionals in biochemistry and pharmaceutical sciences, this handbook serves as a quick reference for key equations and principles related to molecular docking. Covering the fundamental aspects of ligand-receptor interactions, scoring functions, and computational techniques, the book facilitates a deeper understanding of molecular docking methods. With clarity and precision, it provides a valuable resource for those seeking to navigate the complexities of molecular interactions in drug discovery and structural biology.
Author: Sheikh Arslan Sehgal Publisher: Bentham Science Publishers ISBN: 9814998702 Category : Science Languages : en Pages : 126
Book Description
Bioinformatics allows researchers to answer biological questions with advanced computational methods which involves the application of statistics and mathematical modeling. Structural bioinformatics enables the prediction and analysis of 3D structures of macromolecules while Computer Aided Drug Designing (CADD) assists scientists to design effective active molecules against diseases. However, the concepts in structural bioinformatics and CADD can be complex to understand for students and educated laymen. This quick guideline is intended as a basic manual for beginner students and instructors involved in bioinformatics and computational chemistry courses. Readers will learn the basics of structural bioinformatics, primary and secondary analysis and prediction, structural visualization, structural analysis and molecular docking. The book provides the reader an easy to read summary of the tools and techniques in structural bioinformatics as well as their limitations. In this revised edition, the authors have updated information in a number of chapters with a specific focus on the section on protein structure visualization and evaluation. Additional information on protein-ligand interaction studies has also been provided in this new edition. Therefore, the book is a useful handbook for aspiring scholars who wish to learn the basic concepts in computational analysis of biomolecules.
Author: Mohane S. Coumar
Author: N B Singh
Author: N.B. Singh
Author: Dastmalchi, Siavoush
Author: Amalia Stefaniu
Author: Tamar Schlick
Author: Mohini Gore
Author: Vishwanath Gaitonde
Author: N.B. Singh
Author: Sheikh Arslan Sehgal