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 Discovery
Hong 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 Discovery
Kristen 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
