Chapter 1 Free Energy-Based Methods to Understand Drug Resistance Mutations

Chapter 2 Pharmacophore Modelling and Screening: Concepts, Recent Developments and Applications in Rational Drug Design

Chapter 4 Combinatorial Drug Discovery from Activity-Related Substructure Identification

Chapter 5 In Silico Structure-Based Prediction of Receptor–Ligand Binding Affinity: Current Progress and Challenges

Chapter 6 Structure-Based Drug Design of Pf DHODH Inhibitors as Antimalarial Agents

Chapter 7 Recent Advancements in Computing Reliable Binding Free Energies in Drug Discovery Projects

Chapter 8 Integrated Chemoinformatics Approaches Toward Epigenetic Drug Discovery

Chapter 9 Structure-Based Drug Design with a Special Emphasis on Herbal Extracts

Chapter 10 Impact of Target-Based Drug Design in Anti-bacterial Drug Discovery for the Treatment of Tuberculosis

Chapter 11 Turbo Analytics: Applications of Big Data and HPC in Drug Discovery

Chapter 12 Single-Particle cryo-EM as a Pipeline for Obtaining Atomic Resolution Structures of Druggable Targets in Preclinical Structure-Based Drug Design