目次

1. Virtual Screening in Drug Design Markus Lill 2. In Silico Systems Biology Approaches for the Identification of Antimicrobial Targets Malabika Sarker, Carolyn Talcott, and Amit K. Galande 3. Genome Comparisons as a Tool for Antimicrobial Target DiscoveryHong Sun, Hai-Feng Chen, and Runsheng Chen 4. In Silico Models for Drug Resistance Segun Fatumo, Marion Adebiyi, and Ezekiel Adebiyi 5. An In Silico Model for Interpreting Polypharmacological Relationships in Drug-Target Networks Ichigaku Takigawa, Koji Tsuda, and Hiroshi Mamitsuka 6. On Exploring Structure–Activity Relationships Rajarshi Guha 7. Molecular Dynamics Simulations in Drug Design John E. Kerrigan 8. Databases and In Silico Tools for Vaccine Design Yongqun He and Zuoshuang Xiang  9. In Silico Models for B-Cell Epitope Recognition and Signaling Hifzur Rahman Ansari and Gajendra P.S. Raghava 10. The Collaborative Drug Discovery (CDD) Database Sean Ekins and Barry A. Bunin 11. Recognition of Nontrivial Remote Homology Relationships Involving Proteins of Helicobacter pylori: Implications for Function Recognition Nidhi Tyagi and Narayanaswamy Srinivasan 12. Identification of Novel Anthrax Toxin Countermeasures Using In Silico Methods Ting-Lan Chiu, Kimberly M. Maize, and Elizabeth A. Amin 13. Rational Design of HIV-1 Entry Inhibitors Asim K. Debnath 14. Malarial Kinases: Novel Targets for In Silico Approaches to Drug DiscoveryKristen M. Bullard, Robert Kirk DeLisle, and Susan M. Keenan 15. Designing Novel Inhibitors of Trypanosoma brucei Özlem Demir and Rommie E. Amaro 16. Computational Models for Tuberculosis Drug Discovery Sean Ekins and Joel S. FreundlichRajarshi Guha 7. Molecular Dynamics Simulations in Drug Design John E. Kerrigan 8. Databases and In Silico Tools for Vaccine Design Yongqun He and Zuoshuang Xiang  9. In Silico Models for B-Cell Epitope Recognition and Signaling Hifzur Rahman Ansari and Gajendra P.S. Raghava 10. The Collaborative Drug Discovery (CDD) Database Sean Ekins and Barry A. Bunin 11. Recognition of Nontrivial Remote Homology Relationships Involving Proteins of Helicobacter pylori: Implications for Function Recognition Nidhi Tyagi and Narayanaswamy Srinivasan 12. Identification of Novel Anthrax Toxin Countermeasures Using In Silico Methods Ting-Lan Chiu, Kimberly M. Maize, and Elizabeth A. Amin 13. Rational Design of HIV-1 Entry Inhibitors Asim K. Debnath 14. Malarial Kinases: Novel Targets for In Silico Approaches to Drug DiscoveryKristen M. Bullard, Robert Kirk DeLisle, and Susan M. Keenan 15. Designing Novel Inhibitors of Trypanosoma brucei Özlem Demir and Rommie E. Amaro 16. Computational Models for Tuberculosis Drug Discovery Sean Ekins and Joel S. Freundlich