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« ilib diverse Overview
ilib diverse user manual: Contents

1. Introduction to ilib diverse

1.1. Installing ilib diverse

1.2. Starting ilib diverse

1.3. Using ilib diverse

2. Fragment Set

2.1 Organizing the fragment set

3. Fragment Detail View

4. Atom Reactivity Customization

4.1. Reactivity management

4.2. Atom reactivity editor

5. Generation Settings

5.1. The combination mode panel

5.2. The process panel

5.3. The generation panel

6. ilib diverse Filters

6.1. Definitions

6.2. Filter collection

6.3. User-adaptable physicochemical properties

7. Library Inspector

8. 3D Structures by CORINA

9. ilib diverse Tutorials

9.1. Random library generation

9.2. Ordered groups mode

9.3. Generation progress inspector

9.4. Focused library

10. Examples

10.1. HRV coat protein

10.2. NMDA antagonists

10.3. Biginelli condensation

10.4. Coagulation factor Xa

10.5. PKB inhibitors

Examples

10. Examples

In this section, application examples for generation of virtual libraries for different targets are described.

  • Example 1: Potential Inhibitors of Human Rhinovirus Coat Protein
  • Example 2: Potential NMDA-NR1/2B Antagonists
  • Example 3: Biginelli Multicomponent Condensation
  • Example 4: Potential Inhibitors for Human Coagulation Factor Xa 
  • Example 5: Potential Inhibitors of PKB

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