In Silico Models for Drug Discovery (Hardcover) (ISBN-13: 9781627033411)

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

ﾖzlem Demir and Rommie E. Amaro

16. Computational Models for Tuberculosis Drug Discovery

Sean Ekins and Joel S. Freundlich

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

ﾖzlem Demir and Rommie E. Amaro

16. Computational Models for Tuberculosis Drug Discovery

Sean Ekins and Joel S. Freundlich