In Silico Models for Drug Discovery

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