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Computer-Aided Drug Discovery

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Cover of 'Computer-Aided Drug Discovery'

Table of Contents

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    Book Overview
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    Chapter 35 Recent Advances in the Open Access Cheminformatics Toolkits, Software Tools, Workflow Environments, and Databases
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    Chapter 41 Molecular Dynamics Simulations and Computer-Aided Drug Discovery
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    Chapter 45 CAVITY: Mapping the Druggable Binding Site
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    Chapter 46 Pharmacophore Modeling: Methods and Applications
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    Chapter 47 A Review of Evolutionary Algorithms for Computing Functional Conformations of Protein Molecules
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    Chapter 48 Methods for Detecting Protein Binding Interfaces
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    Chapter 51 Computational Fragment-Based Drug Design
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    Chapter 56 Incorporating Receptor Flexibility into Structure-Based Drug Discovery
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    Chapter 58 Understanding Water and Its Many Roles in Biological Structure: Ways to Exploit a Resource for Drug Discovery
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    Chapter 59 Applications of the Fragment Molecular Orbital Method to Drug Research
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    Chapter 62 MDock: An Ensemble Docking Suite for Molecular Docking, Scoring and In Silico Screening
Attention for Chapter 62: MDock: An Ensemble Docking Suite for Molecular Docking, Scoring and In Silico Screening
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