Quantum Mechanics Applications in Drug Design

This volume explores the practical application of quantum mechanical (QM) methods in modern drug design. Its chapters cover methodological developments, integration with molecular dynamics and artificial intelligence, applications to diverse target classes and modalities, and perspectives on automation and high-throughput deployment. The book is intended for a broad readership, including computational and medicinal chemists, structural biologists, pharmacologists, and researchers working at the interface of physics, chemistry, and drug design. Written for the highly successful Methods in Molecular Biology series, the chapters provide the detailed guidance necessary for successful implementation of these techniques. Expansive and cutting-edge, Quantum Mechanics Applications in Drug Design serves as both an authoritative reference and a practical guide for scientists seeking to harness quantum mechanical methods to accelerate and improve the design of new therapeutics.