Title | Fragment-Based Methods in Drug Discovery [electronic resource] / edited by Anthony E. Klon |
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Imprint | New York, NY : Springer New York : Imprint: Humana Press, 2015 |
Connect to | http://dx.doi.org/10.1007/978-1-4939-2486-8 |
Descript | IX, 230 p. 68 illus., 53 illus. in color. online resource |
Solvation Methods for Protein-Ligand Docking -- Binding Site Druggability Assessment in Fragment-Based Drug Design -- Generating "Fragment-Based Virtual Library" Using Pocket Similarity Search of Ligand-Receptor Complexes -- Virtual Fragment Preparation for Computational Fragment-Based Drug Design -- Fragment Library Design: Using Cheminformatics and Expert Chemists to Fill Gaps in Existing Fragment Libraries -- Protocol for Fragment Hopping -- Site Identification by Ligand Competitive Saturation (SILCS) Simulations for Fragment-Based Drug Design -- A Computational Fragment-Based De Novo Design Protocol Guided by Ligand Efficiency Indices (LEI) -- Scoring Functions for Fragment-Based Drug Discovery -- Computational Methods for Fragment-Based Ligand Design: Growing and Linking -- Design Strategies for Computational Fragment-Based Drug Design -- Protein Binding Site Analysis for Drug Discovery Using a Computational Fragment-Based Method -- Fragment-Based Design of Kinase Inhibitors: A Practical Guide -- Designing a Small Molecule Erythropoietin Mimetic -- Designing an Orally Available Non-Toxic p38 Inhibitor with a Fragment-Based Strategy