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[ 3D Ligand Editor | Convert to 3D | Superimpose Chemicals | QSAR ]
2.5.1 How to use the ICM 3D Ligand Editor |
ICM Chemist-Pro Contains All the Tools in ICM-Chemist | ICM-Chemist Tutorials | |
ICM 3D Ligand Editor: Setup | ||
How to setup the ligand in the ICM 3D Ligand Editor. | HTML GUI Manual | video |
How to setup the receptor in the ICM 3D Ligand Editor. | HTML GUI Manual | video |
How to change the 3D Ligand Editor preferences. | HTML GUI Manual | video |
How to configure the default display in the ICM 3D Ligand Editor. | HTML GUI Manual | video |
ICM 3D Ligand Editor: Display | ||
How to display and undisplay the ligand surface representation in the ICM 3D Ligand Editor. | HTML GUI Manual | video |
How to display hydrogen bonds in the ICM 3D ligand editor. | HTML GUI Manual | video |
How to display energy atomic circles in the ICM 3D Ligand Editor. | HTML GUI Manual | video |
How to display and undisplay hydrogen atoms in the ICM 3D Ligand Editor. | HTML GUI Manual | video |
How to display unsatisfied hydrogen bonds in the ICM 3D Ligand Editor. | HTML GUI Manual | video |
How to center on a ligand in the ICM 3D Ligand Editor. | HTML GUI Manual | video |
ICM 3D Ligand Editor: Edit Ligand | ||
How to begin editing your ligand in the ICM 3D Ligand Editor. | HTML GUI Manual | video |
How to undo and redo changes in the ICM 3D Ligand Editor. | HTML GUI Manual | video |
How to add and sample new substiutents to your ligand in the ICM 3D Ligand Editor. | HTML GUI Manual | video |
How to sample more than one substituent at a time in the ICM 3D Ligand Editor. | HTML GUI Manual | video |
How to edit the ligand in 2D in the ICM 3D Ligand Editor. | HTML GUI Manual | video |
How to evaluate the SCORE and ligand strain. | HTML GUI Manual | video |
How to add an edited ligand to a chemical spreadsheet (table). | HTML GUI Manual | video |
How to change the size of the ligand binding pocket - change purple box size. | HTML GUI Manual | video |
ICM 3D Ligand Editor: Docking and Minimization | ||
How to perform ligand minimization in the ICM 3D Ligand Editor. | HTML GUI Manual | video |
How to re-dock a ligand in the ICM 3D Ligand Editor. | HTML GUI Manual | video |
How to restrain (tether) atoms during docking. | HTML GUI Manual | video |
How to screen databases of chemical substituents. | HTML GUI Manual | video |
How to sample linkers between two chemical fragments. | HTML GUI Manual | video |
2.5.2 How to Convert Chemicals to 3D |
Convert Chemicals to 3D | ||
How to convert 2D sketches in the molecule editor into 3D. | HTML GUI Manual | video |
How to convert 2D chemical sketches to 3D. | HTML GUI Manual | video |
How to generate 3D ligand conformers. | HTML GUI Manual | video |
2.5.3 How to Superimpose Chemicals |
How to Superimpose Chemicals | ||
How to Perform Rigid and Flexible Chemical Substructure Superposition. | HTML GUI Manual | video |
How to use Atomic Property Fields for Chemical Superposition | HTML GUI Manual | video |
2.5.4 How to Perform QSAR |
QSAR | ||
How to build a QSAR prediction model. | HTML GUI Manual | video |
How to apply a QSAR prediction model. | HTML GUI Manual | video |
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