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[ 3D Ligand Editor | Convert to 3D | Ligand Energetics | Superimpose Chemicals | QSAR ]
3.5.1 How to use the ICM 3D Ligand Editor |
| ICM Chemist-Pro Contains All the Tools in ICM-Chemist | ICM-Chemist Reference Guide | |
| 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 |
| 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 |
3.5.2 How to Convert Chemicals to 3D |
| Convert Chemicals to 3D | ||
| How to convert 2D chemical sketches to 3D. | HTML GUI Manual | video |
| How to convert 3D chemicals to 2D. | HTML GUI Manual | video |
| How to generate 3D ligand conformers. | HTML GUI Manual | video |
3.5.3 Ligand Energetics |
| Ligand Energetics | ||
| How to calculate conformation entropy. | HTML GUI Manual | video |
| How to calculate conformational strain. | HTML GUI Manual | video |
3.5.4 How to Superimpose Chemicals |
| How to Superimpose Chemicals | ||
| How to Perform Rigid Chemical Substructure Superposition. | HTML GUI Manual | video |
| How to Perform Flexible Chemical Substructure Superposition. | HTML GUI Manual | video |
| How to use Atomic Property Fields for Chemical Superposition | HTML GUI Manual | video |
3.5.5 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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