Computer Aided Drug Design (CADD): From Ligand-Based Methods to Structure-Based Approaches

Computer-Aided Drug Design (CADD): From Ligand-Based Methods to Structure-Based Approaches outlines the basic theoretical principles, methodologies and applications of different fundamental as well as advanced CADD approaches and techniques. Including information on current protocols as well as recent developments in the computational methods, tools and techniques used for rational drug design, the book explains the fundamental aspects of CADD, combining this with a practical understanding of the various in silico approaches used in modern drug discovery processes to assess the field in a comprehensive and systematic manner. Providing up-to-date, information and guidance for scientists, researchers, students and teachers, the book helps readers address specific academic and research related problems using illustrative explanations, examples and case studies, which are systematically reviewed. Focusing on the current status and recent advances in computational tools, techniques and databases, guidance on experimental design in emerging therapeutic areas of interest using the latest CADD protocols and techniques is included. The information and resources embedded in the book will therefore be of benefit to beginners as well as experienced professionals. Highlights in silico approaches to drug design and discovery using computational tools and techniques Details ligand-based drug design and structure-based drug design in a comprehensive and systematic approach Summarizes recent developments in computational drug design strategy as novel approaches of rational drug designing