Advanced Computational Techniques in Rational Drug Development

This contributed volume provides a comprehensive analysis of computer-aided drug design (CADD) and network pharmacology, focusing on their vital roles in modern drug research and development. It explores techniques like molecular docking and molecular dynamics simulations to design lead compounds, understand drug-receptor interactions, and improving drug efficacy, particularly in treating life-threatening diseases like cancer. The book also highlights how network pharmacology aids in identifying drug mechanisms and resistance, offering valuable insights into pharmacological effects. By combining these advanced methodologies, the book emphasizes their transformative impact on accelerating drug discovery and optimizing treatment strategies. It is a useful tool for graduate students, researchers, and/or professionals working in the area of drug discovery and development.