Rebroadcast: Structure-Based Drug Design and Ligand Modification

 Oct 27, 2020  |   12:01 AM   |  Viewing Available Until Nov 03, 2020 

Molecular Surfaces and Maps / Ligand Interactions / Docking / Ligand Optimization / Ligand Selectivity / Protein Alignments and Superposition

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Creating and Analyzing Focused Mutant Libraries for Protein Engineering

 Oct 28, 2020  |  11:00 to 11:45  |  Eastern (NY) Time 

Inputting Multiple Sequence Data / Mutation Frequencies / Targeted Mutant Libraries / Protein Engineering

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Revealing Conformational Behavior in Solution through NMR Data Analysis

 Oct 29, 2020  |  11:00 to 11:30  |  Eastern (NY) Time 

Conformer Generation / LowModeMD / QM Refinement / Solution Conformer Distribution

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

 Nov 04, 2020  |  11:00 to 11:45  |  Eastern (NY) Time 

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

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Reverse Fingerprints (I): Application to Structural Motif Detection and Atomic Activity Contributions

 Nov 05, 2020  |  11:00 to 11:45  |  Eastern (NY) Time 

Molecular Fingerprints / Structural Motif Detection / Pharmacophores / Toxicology / Fingerprint Bit Score Visualization

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Reverse Fingerprints (II): Fingerprints to Pharmacophore Queries

 Nov 11, 2020  |  11:00 to 11:45  |  Eastern (NY) Time 

Molecular Fingerprints / Consensus Models / Pharmacophore Elucidation / 3D Query Generation

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MOEsaic: Mining Activity Data to Guide a Medicinal Chemistry Campaign

 Nov 12, 2020  |  11:00 to 11:45  |  Eastern (NY) Time 

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

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Rebroadcast: Protein-Protein Docking and Epitope Analysis

 Nov 17, 2020  |   12:01 AM   |  Viewing Available Until Nov 24, 2020 

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

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Protein Engineering and Affinity Modeling

 Nov 18, 2020  |  11:00 to 11:45  |  Eastern (NY) Time 

Protein Engineering / Protein Properties / Developability / Hot Spot Analysis

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Antibody Modeling and Developability

 Nov 19, 2020  |  11:00 to 11:45  |  Eastern (NY) Time 

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

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Rebroadcast: Applications of Pharmacophores in Drug Design

 Nov 23, 2020  |   12:01 AM   |  Viewing Available Until Nov 30, 2020 

Pharmacophore Modeling / Pharmacophore Consensus / Flexible Alignments / Pharmacophore Searching / Protein-Ligand Interaction Fingerprints (PLIF)

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Biologics: Protein Alignments, Modeling and Docking

 Nov 24, 2020  |  11:00 to 11:45  |  Eastern (NY) Time 

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

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

 Nov 25, 2020  |  11:00 to 11:45  |  Eastern (NY) Time 

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

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Rebroadcast: Creating and Analyzing Focused Mutant Libraries for Protein Engineering

 Dec 08, 2020  |   12:01 AM   |  Viewing Available Until Dec 15, 2020 

Inputting Multiple Sequence Data / Mutation Frequencies / Targeted Mutant Libraries / Protein Engineering

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

 Dec 09, 2020  |  11:00 to 11:30  |  Eastern (NY) Time 

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

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Advanced Small Molecule Docking

 Dec 10, 2020  |  11:00 to 11:45  |  Eastern (NY) Time 

Structure Preparation / Protein Binding Site Visualization / Template-Based Docking / Covalent Docking / Pharmacophores / Protein-Ligand Interaction Fingerprints (PLIF) / Multiple Processor Calculations

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

 Dec 16, 2020  |   12:01 AM   |  Viewing Available Until Dec 23, 2020 

Scaffold Replacement / Fragment Linking / R-Group Screening / Medicinal Chemistry Transformations / Fragment Libraries / Pharmacophore Models

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