Fragment-Based Methods in Drug Discovery

Chapter 1 Solvation methods for protein-ligand docking.

Chapter 2 Binding site druggability assessment in fragment-based drug design.

Chapter 3 Generating "fragment-based virtual library" using pocket similarity search of ligand-receptor complexes.

Chapter 4 Virtual fragment preparation for computational fragment-based drug design.

Chapter 5 Fragment library design: using cheminformatics and expert chemists to fill gaps in existing fragment libraries.

Chapter 6 Protocol for fragment hopping.

Chapter 7 Site Identification by Ligand Competitive Saturation (SILCS) Simulations for Fragment-Based Drug Design.

Chapter 8 A Computational Fragment-Based De Novo Design Protocol Guided by Ligand Efficiency Indices (LEI).

Chapter 9 Scoring functions for fragment-based drug discovery.

Chapter 10 Computational methods for fragment-based ligand design: growing and linking.

Chapter 11 Design strategies for computational fragment-based drug design.

Chapter 12 Protein binding site analysis for drug discovery using a computational fragment-based method.

Chapter 13 Fragment-based design of kinase inhibitors: a practical guide.

Chapter 14 Designing a small molecule erythropoietin mimetic.

Chapter 15 Designing an Orally Available Nontoxic p38 Inhibitor with a Fragment-Based Strategy.