Computational Drug Discovery And Design (Hb) Hardcover

With the continuous advancement of affordable computing power, the role of computers in drug discovery and design has become increasingly significant in molecular biology and medicinal chemistry. Computational Drug Discovery and Design: Methods and Protocols presents cutting-edge computational techniques used in drug development, providing essential tools for biomedical applications. This volume covers a wide range of methodologies, including binding site prediction, solvent and entropic effect considerations, high-throughput screening of large compound databases, and protein-protein inhibition studies. It also delves into quantitative free-energy approaches and ensemble-based drug design using distributed computing. As part of the Methods in Molecular Biology™ series, each chapter offers detailed introductions, references to software and open-source tools, step-by-step computational protocols, and expert troubleshooting tips. Designed for scientists, researchers, and drug developers, this book serves as a valuable resource for understanding modern computer-aided drug discovery techniques and advancing the field of computational medicinal chemistry.