ICM User's Guide: The 3D Fully Interactive Ligand Editor

ICM GUI Manual

ICM Manual v.3.9

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Introduction
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Getting Started
Protein Structure
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Sequences & Alignments
Protein Modeling
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Learn and Predict
Docking & Screening
Ligand-Based Screening
Peptides, Proteins & PROTACs
Molecular Dynamics
Quantum Mechanics
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3D Ligand Editor
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Index

18 The 3D Fully Interactive Ligand Editor

18.1 Setup Ligand and Receptor
18.2 Ligand-Editor-Preferences
18.3 Display Options
18.4 Evaluate Ligand Score and Strain
18.5 Edit Ligand
18.6 Virtual Screen: Find Best Replacement Group
18.7 Multiple Position Group Scan
18.8 Bioisostere Scan
18.9 Dock or Minimize Ligand
18.10 Dock from Table
18.11 Fragment Linking Core Replacement
18.12 Impose Tethers or Distance Restraints
18.13 Defined Flexible Receptor Groups
18.14 Side Chain Refinement
18.15 Multiple Receptor Docking
18.16 Covalent Docking in the Ligand Editor
18.17 Dock to Atomic Property Fields
18.18 AI Decoration (groupGen)
18.19 Predict Exit Point (Exit Point)
18.20 How to Save Ligand Receptor Complex as PDB
18.21 Peptide Modeling
18.22 Export Docking Project.
18.23 Close and Clean Up Project

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