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.
molecular surfaces and maps – ligand interactions – docking – ligand optimization – ligand selectivity – protein alignments and superposition
pharmacophore modeling – docking – fragment-based design – scaffold replacement – R-group screening – project search – protein-ligand interaction fingerprints (PLIF)
protein engineering – protein properties – developability – hot spot analysis – antibody modeling – humanization – molecular surfaces
alignments and superposition – loop and linker modeling – homology modeling – protein docking – solubility analysis – 2D hot spot mapping – protein ligand interaction fingerprints – QSAR modeling
MOEsaic – R-group profiles and analysis – MMP analysis – similarity and substructure searching – descriptor calculations – conformational searching – molecular alignments – pharmacophore modeling and searching
MOE databases – molecular descriptors – sorting and coloring – plots – clustering – diverse subset selection – QSAR modeling – binary QSAR – substructure searching – molecular fingerprints – similarity searching
scaffold replacement – medicinal chemistry transformations – fragment linking – R-group screening – ligand growing – pharmacophores – fragment databases
Macromolecular repository – 3D query searching – pocket similarity – display electron density – central repository – specialized protein databases
SVL – programming language – create scripts – customize MOE
MOE project – specialized protein families – project search – organizing and centralizing project data – protein family modeling
structure preparation – non-natural amino acids – conformational searching – distance restraints – peptide-protein docking – protein-ligand interaction fingerprints
homology modeling – loop modeling – loop conformational searching – sequence alignments – structure superposition – multimer alignments and superpositions
virtual screening compound libraries – descriptors, fingerprints and QSPR modeling – pharmacophore modeling – template-based docking – compound design
structure preparation – sidechain rotamer exploration – electron density maps – solvent analysis with 3D-RISM
MOE 2022 Courses
_MOE_2022_(E)_Structure_Based_Drug_Design_and_Ligand_Modification.png)
_MOE_2022_(J)_Advanced_Structure-Based_Drug_Design.png)
_MOE_2022_(B)_Antibody_Modeling_and_Protein_Engineering.png)
_MOE_2022_(C)_Biologics_Protein_Alignments_Modeling_and_Docking.png)
_MOE_2022_(D)_Ligand-Based_Drug_Design_and_SAR_Analysis.png)
_MOE_2022_(H)_Cheminformatics_and_QSAR.png)
_MOE_2022_(G)_Fragment_Based_Drug_Design.png)
_MOE_2022_(K)_Introduction_to_PSILO.png)
_MOE_2022_(L)_Organizing_Protein_Structural_Families_and_Data_Mining.png)
_MOE_2022_(W)_Peptide_Modeling_Conformational_Searching_and_Docking.png)
_MOE_2022_(A)_Protein_Alignments_and_Homology_Modeling.png)
_MOE_2022_(V)_Small_Molecule_Virtual_Screening.png)
_MOE_2022_(R)_X-Ray_Crystallography.png)
_MOE_2022_(I)_Introduction_to_SVL.png)