Rebroadcast: MOEsaic: Mining Activity Data to Guide a Medicinal Chemistry Campaign

 Dec 01, 2021  |   12:01 AM   |  Viewing Available Until Dec 08, 2021  Small Molecules

Activity Data Mining / SAR / Matched Molecular Pairs / R-group Analysis / R-group Profiling / Free-Wilson Analysis / Compound Suggestions

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Protein Surface Charge and Hydrophobic Patch Analysis

 Dec 02, 2021  |  11:00 to 11:45  |  Eastern (NY) Time  Biologics

Protein Patch Analysis / Protein Interaction Hot Spots / Antibodies and Related Derivatives / Interaction Sites / 2D Patch Depiction / Comparative Analysis / Key Active Regions

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Structure-Based Molecular Transformations

 Dec 09, 2021  |  11:00 to 12:00  |  Eastern (NY) Time  Small Molecules

Medicinal Chemistry Transformations / Bioisosteres / Lead Optimization / Ligand Ranking and Scoring / Structure-Based Design / Ligand Synthetic Accessibility

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Recently Passed Events

Rebroadcast: From Structure to Dynamics Simulation: Workflow for Preparing, Running and Visualizing MD Trajectories

 Nov 30, 2021  |   12:01 AM   |  Viewing Available Until Dec 07, 2021  Small Molecules

Structure Preparation / Force Field / Solvation / AMBER / NAMD / Visualization / Player