Fragment-based methods in drug discovery. (2015)
- Record Type:
- Book
- Title:
- Fragment-based methods in drug discovery. (2015)
- Main Title:
- Fragment-based methods in drug discovery
- Further Information:
- Note: Edited by Anthony E. Klon, Pennsylvania Drug Discovery Institute, Doylestown, PA, USA.
- Editors:
- Klon, Anthony E
- Contents:
- Part I: Preparation 1. Solvation Methods for Protein-Ligand Docking Rachelle J. Bienstock 2. Binding Site Druggability Assessment in Fragment-Based Drug Design Yu Zhou and Niu Huang 3. Generating "Fragment-Based Virtual Library" Using Pocket Similarity Search of Ligand-Receptor Complexes Raed S. Khashan 4. Virtual Fragment Preparation for Computational Fragment-Based Drug Design Jennifer L. Ludington 5. Fragment Library Design: Using Cheminformatics and Expert Chemists to Fill Gaps in Existing Fragment Libraries Peter S. Kutchukian, Sung-Sau So, Christian Fischer, and Chris L. Waller Part II: Simulation 6. Protocol for Fragment Hopping Kevin B. Teuscher and Haitao Ji 7. Site Identification by Ligand Competitive Saturation (SILCS) Simulations for Fragment-Based Drug Design Christina E. Faller, E. Prabhu Raman, Alexander D. MacKerell, Jr., and Olgun Guvench 8. A Computational Fragment-Based De Novo Design Protocol Guided by Ligand Efficiency Indices (LEI) Álvaro Cortés-Cabrera, Federico Gago, and Antonio Morreale 9. Scoring Functions for Fragment-Based Drug Discovery Jui-Chih Wang and Jung-Hsin Lin Part III: Design 10. Computational Methods for Fragment-Based Ligand Design: Growing and Linking Rachelle J. Bienstock 11. Design Strategies for Computational Fragment-Based Drug Design Zenon D. Konteatis 12. Protein Binding Site Analysis for Drug Discovery Using a Computational Fragment-Based Method Jennifer L. Ludington Part IV: Case Studies 13. Fragment-Based Design of KinasePart I: Preparation 1. Solvation Methods for Protein-Ligand Docking Rachelle J. Bienstock 2. Binding Site Druggability Assessment in Fragment-Based Drug Design Yu Zhou and Niu Huang 3. Generating "Fragment-Based Virtual Library" Using Pocket Similarity Search of Ligand-Receptor Complexes Raed S. Khashan 4. Virtual Fragment Preparation for Computational Fragment-Based Drug Design Jennifer L. Ludington 5. Fragment Library Design: Using Cheminformatics and Expert Chemists to Fill Gaps in Existing Fragment Libraries Peter S. Kutchukian, Sung-Sau So, Christian Fischer, and Chris L. Waller Part II: Simulation 6. Protocol for Fragment Hopping Kevin B. Teuscher and Haitao Ji 7. Site Identification by Ligand Competitive Saturation (SILCS) Simulations for Fragment-Based Drug Design Christina E. Faller, E. Prabhu Raman, Alexander D. MacKerell, Jr., and Olgun Guvench 8. A Computational Fragment-Based De Novo Design Protocol Guided by Ligand Efficiency Indices (LEI) Álvaro Cortés-Cabrera, Federico Gago, and Antonio Morreale 9. Scoring Functions for Fragment-Based Drug Discovery Jui-Chih Wang and Jung-Hsin Lin Part III: Design 10. Computational Methods for Fragment-Based Ligand Design: Growing and Linking Rachelle J. Bienstock 11. Design Strategies for Computational Fragment-Based Drug Design Zenon D. Konteatis 12. Protein Binding Site Analysis for Drug Discovery Using a Computational Fragment-Based Method Jennifer L. Ludington Part IV: Case Studies 13. Fragment-Based Design of Kinase Inhibitors: A Practical Guide Jon A. Erickson 14. Designing a Small Molecule Erythropoietin Mimetic Frank Guarnieri 15. Designing an Orally Available Non-Toxic p38 Inhibitor with a Fragment-Based Strategy Frank Guarnieri. … (more)
- Publisher Details:
- New York : Humana Press
- Publication Date:
- 2015
- Copyright Date:
- 2015
- Extent:
- 1 online resource (230 pages)
- Subjects:
- 615.19
Medicine
Drugs -- Design
Toxicology
Medical -- Pharmacology
Pharmacology - Languages:
- English
- ISBNs:
- 9781493924868
- Related ISBNs:
- 9781493924851
- Access Rights:
- Legal Deposit; Only available on premises controlled by the deposit library and to one user at any one time; The Legal Deposit Libraries (Non-Print Works) Regulations (UK).
- Access Usage:
- Restricted: Printing from this resource is governed by The Legal Deposit Libraries (Non-Print Works) Regulations (UK) and UK copyright law currently in force.
- View Content:
- Available online (eLD content is only available in our Reading Rooms) ↗
- Physical Locations:
- British Library HMNTS - ELD.DS.343164
- Ingest File:
- 01_294.xml