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LATEST  |  COURSES  |  TUTORIALS MOE 2022 COURSES

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The following instructions can be used to install a document to your Desktop:

 1. Click on a link below to download the course or tutorial package of
    interest.
 2. Open the downloaded .svlx file in MOE (through browser download dialog or
    drag-and-drop on MOE 3D window).
 3. 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.

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Structure-Based Drug Design and Ligand Modification
molecular surfaces and maps – ligand interactions – docking – ligand
optimization – ligand selectivity – protein alignments and superposition

Advanced Structure-Based Design
pharmacophore modeling – docking – fragment-based design – scaffold replacement
– R-group screening – project search – protein-ligand interaction fingerprints
(PLIF)

Antibody Modeling and Protein Engineering
protein engineering – protein properties – developability – hot spot analysis –
antibody modeling – humanization – molecular surfaces

Biologics: Protein Alignments, Modeling and Docking
alignments and superposition – loop and linker modeling – homology modeling –
protein docking – solubility analysis – 2D hot spot mapping – protein ligand
interaction fingerprints – QSAR modeling

Ligand-Based Drug Design and SAR Analysis
MOEsaic – R-group profiles and analysis – MMP analysis – similarity and
substructure searching – descriptor calculations – conformational searching –
molecular alignments – pharmacophore modeling and searching

Cheminformatics and QSAR
MOE databases – calculated descriptors – fingerprints – QSAR modeling – binary
QSAR – similarity searching – consensus modeling

Fragment-Based Drug Design
scaffold replacement – medicinal chemistry transformations – fragment linking –
R-group screening – ligand growing – pharmacophores – fragment databases

Introduction to PSILO®
Macromolecular repository – 3D query searching – pocket similarity – display
electron density – central repository – specialized protein databases

Introduction to SVL
SVL – programming language – create scripts – customize MOE

MOE Project and Protein Family Modeling
MOE project – database management – specialized protein families – project data
search – PLIF analysis

Peptide Modeling, Conformational Searching and Docking
structure preparation – non-natural amino acids – conformational searching –
distance restraints – peptide-protein docking – protein-ligand interaction
fingerprints

Protein Alignments and Homology Modeling
homology modeling – loop modeling – loop conformational searching – sequence
alignments – structure superposition – multimer alignments and superpositions

Small Molecule Virtual Screening
virtual screening compound libraries – descriptors, fingerprints and QSPR
modeling – pharmacophore modeling – template-based docking – compound design

X-Ray Crystallography
structure preparation – sidechain rotamer exploration – electron density maps –
solvent analysis with 3D-RISM

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