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Fragment-Based Methods in Drug Discovery

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Cover of 'Fragment-Based Methods in Drug Discovery'

Table of Contents

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    Book Overview
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    Chapter 1 Solvation methods for protein-ligand docking.
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    Chapter 2 Binding site druggability assessment in fragment-based drug design.
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    Chapter 3 Generating "fragment-based virtual library" using pocket similarity search of ligand-receptor complexes.
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    Chapter 4 Virtual fragment preparation for computational fragment-based drug design.
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    Chapter 5 Fragment library design: using cheminformatics and expert chemists to fill gaps in existing fragment libraries.
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    Chapter 6 Protocol for fragment hopping.
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    Chapter 7 Site Identification by Ligand Competitive Saturation (SILCS) Simulations for Fragment-Based Drug Design.
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    Chapter 8 A Computational Fragment-Based De Novo Design Protocol Guided by Ligand Efficiency Indices (LEI).
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    Chapter 9 Scoring functions for fragment-based drug discovery.
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    Chapter 10 Computational methods for fragment-based ligand design: growing and linking.
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    Chapter 11 Design strategies for computational fragment-based drug design.
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    Chapter 12 Protein binding site analysis for drug discovery using a computational fragment-based method.
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    Chapter 13 Fragment-based design of kinase inhibitors: a practical guide.
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    Chapter 14 Designing a small molecule erythropoietin mimetic.
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    Chapter 15 Designing an Orally Available Nontoxic p38 Inhibitor with a Fragment-Based Strategy.
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