Rebroadcast: Antibody Modeling and Developability

 Mar 16, 2021  |   12:01 AM   |  Viewing Available Until Mar 23, 2021  Biologics

Protein Annotation / Protein Patches / Virtual Mutagenesis / Antibody Homology Modeling / Protein Properties / Developability

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Rebroadcast: Small Molecule Virtual Screening

 Mar 17, 2021  |   12:01 AM   |  Viewing Available Until Mar 24, 2021  Small Molecules

MOE Databases / Descriptors / Fingerprints / QSPR Modeling / Pharmacophore Modeling / Template-Forced Docking / Scaffold Replacement / MedChem Transformations

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Mixed QM/MM methods: MOE and ONIOM

 Mar 18, 2021  |  11:00 to 11:30  |  Eastern (NY) Time  Small Molecules

Mixed methods / Quantum Mechanics / Molecular Mechanics / Gaussian / ONIOM

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Rebroadcast: Protein-Protein Docking and Epitope Analysis

 Mar 30, 2021  |   12:01 AM   |  Viewing Available Until Apr 06, 2021  Biologics

Protein-Protein Docking / Molecular Surfaces / Protein Patches / Interaction Fingerprints / Clustering / Epitope Analysis

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Rebroadcast: PSILO: Mining of Biomolecular Data Through an Intuitive Web-Based Platform

 Mar 31, 2021  |   12:01 AM   |  Viewing Available Until Apr 07, 2021  Small Molecules

Macromolecular repository / 3D query searching / Pocket similarity / Display electron density / Central repository / Specialized protein databases

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Structure Refinement Using Electron Density and Solvent Analysis

 Apr 01, 2021  |  11:00 to 12:00  |  Eastern (NY) Time  Small Molecules

Structure Preparation / Sidechain Rotamer Exploration / Electron Density Maps / X-Ray / CryoEM / Solvent Analysis with 3D-RISM

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Practical Guide: Set up MOE High-Performance Computing on AWS Cloud

 Apr 20, 2021  |  11:00 to 11:45  |  Eastern (NY) Time  Small Molecules

Cloud / AWS / HPC / High-Throughput Screening / Large Scale Calculations / SLURM / Amazon Cluster

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Rebroadcast: Solvent Analysis for Lead Optimization

 Apr 21, 2021  |   12:01 AM   |  Viewing Available Until Apr 28, 2021  Small Molecules

Solvent Analysis / 3D-RISM / Lead Optimization / Water Placement

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Quantitative Predictions of Protein Solubility using a QSPR Approach

 Apr 22, 2021  |  11:00 to 11:45  |  Eastern (NY) Time  Biologics

Homology Modeling / Protein Properties Calculations / QSAR/QSPR Modeling / Protein Patch Analysis

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Rebroadcast: Biologics: Protein Alignments, Modeling and Docking

 Jun 15, 2021  |   12:01 AM   |  Viewing Available Until Jun 22, 2021  Biologics

Protein Alignments and Superposition / Loop and Linker Modeling / Homology Modeling / Protein- Protein Docking

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Rebroadcast: The Application of Docking and Fragment Replacement to Structure-Based Drug Design

 Jun 16, 2021  |   12:01 AM   |  Viewing Available Until Jun 23, 2021  Small Molecules

Docking / Pharmacophore Modeling / Fragment-Based Design / Scaffold Replacement / Protein-Ligand Interaction Fingerprints (PLIF)

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Rebroadcast: In Silico Fragment-Based Drug Design: Approaches and Applications

 Jun 17, 2021  |   12:01 AM   |  Viewing Available Until Jun 24, 2021  Small Molecules

Scaffold Replacement / Fragment Linking / Ligand Growing / R-Group Screening / Medicinal Chemistry Transformations / Combinatorial Fragment Libraries / Pharmacophore Models / Fragment Databases

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