The following instructions can be used to install a document to your Desktop:
- Click on a link below to download the course or tutorial package of interest.
- Open the downloaded .svlx file in MOE (through browser download dialog or drag-and-drop on MOE 3D window).
- A folder will be unpacked on the Desktop, and the document will open automatically.
Note:
- A functioning copy of MOE is required.
- The target directory may be overridden with the moe-rc setting 'course.download_dir'.
- Open .svlx file using MOE's File Open dialog if drag-and-drop is disabled.
protonate 3D – ligand docking – pharmacophore query – ligand pose analysis – surfaces and maps
homologous sequence search – sequence alignments – protein templates – homology modeling – protein geometry – homology model evaluation
hot spot analysis – identify mutation sites – optimize protein properties – predict affinity and stability – calculate protein properties
fragment tools – scaffold replacement – pharmacophore model – ligand properties
SBDD – structure preparation – SiteView – QuickPrep – 2D ligand interactions – surfaces and maps – molecule builder
protein and ligand preparation – active site visualization – 2D ligand interactions diagrams – molecular surfaces – rendering options
structural search – sequence independent search – domain motif – similar stuctural motif – nuclear receptor family
building polysaccharides – oligosaccharides – carbohydrates – anomeric center – structure minimization
conformational search – loop sampling – tethered restraints – LowModeMD – shape descriptors
molecular transformations – reactions – active site constraints – modification in the receptor pocket
pharmacophores – extended hueckel theory – query editor – excluded volumes – pharmacophore search
sequence alignments – structural superposition – sequence similarity – sequence identity
protein alignments – protein-ligand databases – PLIF – phamacophore query generator
QSAR – molecular descriptors – model validation – data analysis – plots
SD pipeline tools – fragment database – scaffold replacement – data preparation – molecular conformations
MOE 2018 Tutorials
_MOE_Docking.png)
_MOE_Homology_Modeling_of_Proteins.png)
_MOE_Protein_Design.png)
_MOE_Scaffold_Replacement.png)
_MOE_Structure-Based_Drug_Design.png)
_MOE_3D_Visualization_and_Making_Pictures.png)
_MOE_Domain_Motif_Searching_in_MOE.png)
_MOE_Flexible_Alignment.png)
_MOE_LowModeMD.png)
_MOE_MedChem_Transformations_In-Cleft.png)
_MOE_Pharmacophore_Query_Editing_and_Searching.png)
_MOE_Protein_Alignment_and_Superposition.png)
_MOE_Protein_Ligand_Interaction_Fingerprints.png)
_MOE_QSAR_Modeling_Experimental_Data.png)
_MOE_SD_Pipelining_Tools.png)