Latest  |  Courses  |  Tutorials CCG MOE 2020 Courses


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:
Structure-Based Drug Design and Ligand Modification
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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
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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
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Antibody Modeling and Protein Engineering
protein engineering – protein properties – developability – hot spot analysis – antibody modeling – humanization – molecular surfaces

Biologics: Protein Alignments, Modeling and Docking
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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
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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
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Cheminformatics and QSAR
MOE databases – calculated descriptors – fingerprints – QSAR modeling – binary QSAR – similarity searching – consensus modeling

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

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

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

Peptide Modeling, Conformational Searching and Docking
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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
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Protein Alignments and Homology Modeling
homology modeling – loop modeling – loop conformational searching – sequence alignments – structure superposition – multimer alignments and superpositions

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

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