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Computer-Aided Drug Discovery Methods: A Brief Introduction
About this book
Computer-Aided Drug Discovery Methods: A Brief Introduction explores the cutting-edge field at the intersection of computational science and medicinal chemistry. This comprehensive volume navigates from foundational concepts to advanced methodologies, illuminating how computational tools accelerate the discovery of new therapeutics. Beginning with an overview of drug discovery principles, the book explains topics such as pharmacophore modeling, molecular dynamics simulations, and molecular docking. It discusses the application of density functional theory and the role of artificial intelligence in therapeutic development, showcasing successful case studies and innovations in COVID-19 research. Ideal for undergraduate and graduate students, as well as researchers in academia and industry, this book serves as a vital resource in understanding the complex landscape of modern drug discovery. It emphasizes the synergy between computational methods and experimental validation, shaping the future of pharmaceutical sciences toward more effective and targeted therapies. Readership Undergraduate/Graduate and Research
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Information
Table of contents
- Welcome
- Table of Content
- Title
- BENTHAM SCIENCE PUBLISHERS LTD.
- PREFACE
- Drug Discovery
- Molecular Dynamics in Computer-Aided Drug Discovery: Unveiling Insights into Biomolecular Interactions
- Pharmacophore Modelling and Virtual Screening
- Molecular Docking in Computer-Aided Drug Discovery: A Powerful Tool for Targeted Therapeutics
- The Use of Density Functional Theory in Computer-Aided Drug Discovery
- Software in Computer-Aided Drug Discovery: Empowering Scientific Exploration and Innovation
- Success Stories in Computer-Aided Drug Discovery
- The Future of Computer-Aided Drug Discovery Methods: Advancements and Opportunities