This book investigates the principles and methodologies of structure-based ligand design, a critical approach in modern drug discovery. Böhm, a noted computational chemist, draws upon extensive research and practical applications to present a comprehensive overview of how understanding the three-dimensional structure of biological targets can guide the development of novel therapeutic agents. The work details the computational tools and strategies employed to identify and optimize molecules that bind effectively to these targets, thereby influencing biological processes.

This text is recognized as a foundational work in the field of structure-based ligand design, offering a detailed exploration of computational approaches for drug discovery. Its comprehensive coverage and the author's expertise make it a valuable resource for researchers and students in medicinal chemistry and computational biology. The book is cited for its clear exposition of complex methodologies and its practical relevance to the development of new pharmaceuticals.