Computer-Aided Drug Discovery

Chapter 35 Recent Advances in the Open Access Cheminformatics Toolkits, Software Tools, Workflow Environments, and Databases

Chapter 41 Molecular Dynamics Simulations and Computer-Aided Drug Discovery

Chapter 45 CAVITY: Mapping the Druggable Binding Site

Chapter 46 Pharmacophore Modeling: Methods and Applications

Chapter 47 A Review of Evolutionary Algorithms for Computing Functional Conformations of Protein Molecules

Chapter 51 Computational Fragment-Based Drug Design

Chapter 56 Incorporating Receptor Flexibility into Structure-Based Drug Discovery

Chapter 58 Understanding Water and Its Many Roles in Biological Structure: Ways to Exploit a Resource for Drug Discovery

Chapter 59 Applications of the Fragment Molecular Orbital Method to Drug Research

Chapter 62 MDock: An Ensemble Docking Suite for Molecular Docking, Scoring and In Silico Screening