In Silico Models for Drug Discovery

Chapter 1 Virtual Screening in Drug Design

Chapter 2 In Silico Systems Biology Approaches for the Identification of Antimicrobial Targets

Chapter 3 Genome Comparisons as a Tool for Antimicrobial Target Discovery

Chapter 5 An In Silico Model for Interpreting Polypharmacology in Drug–Target Networks

Chapter 6 On Exploring Structure–Activity Relationships

Chapter 7 Molecular Dynamics Simulations in Drug Design

Chapter 8 Databases and In Silico Tools for Vaccine Design

Chapter 9 In Silico Models for B-Cell Epitope Recognition and Signaling

Chapter 10 The Collaborative Drug Discovery (CDD) Database

Chapter 11 Recognition of Nontrivial Remote Homology Relationships Involving Proteins of Helicobacter pylori: Implications for Function Recognition

Chapter 12 Identification of Novel Anthrax Toxin Countermeasures Using In Silico Methods

Chapter 13 Rational Design of HIV-1 Entry Inhibitors

Chapter 14 Malarial Kinases: Novel Targets for In Silico Approaches to Drug Discovery

Chapter 15 Designing Novel Inhibitors of Trypanosoma brucei.

Chapter 16 Computational models for tuberculosis drug discovery.