Tutorials
Results 49 results
| Title | Keywords | Workshop Files | Additional Resources | Product(s) Referenced |
|---|---|---|---|---|
| BACE1 Inhibitor Design Using Free Energy Perturbation | FEP+, binding affinity, activity cliff, ligand preparation, rank ordering | Seminars | FEP+ | |
| Building QSAR Models with AutoQSAR/DeepChem Workshop Tutorial | QSAR, DeepChem, Machine Learning, Mutagenicity | Seminars | AutoQSAR | |
| Rapid Screening of Chemical Libraries with GPU Shape | Shape, GPU, library, enrichment | Seminars | Shape Screening | |
| Library Design: Enumeration Tools | library design, enumeration, R-group, bioisostere, reaction-based, pathfinder | Seminar | Maestro | |
| Target Analysis with SiteMap and WaterMap | WaterMap, SiteMap, target analysis | SiteMap WaterMap | ||
| Drug Development with Macrocycles Workshop Tutorial | macrocycles, docking, Prime Sampling, ligand enumeration, FEP+ | Seminars | Prime | |
| A Chemist's Guide to Maestro Workshop Tutorial | SBDD, lead optimization, library design, molecular visualization, LBDD | HTML, PDF | Videos, Seminars | Maestro |
| Introduction to Maestro for Materials Science | Iridium (III) Complexes, organic light emitting diodes, OLED, Ligand Design, Periodic Cells, Polymers, Ligand Structural Alignment | HTML, PDF | Maestro | |
| Structure-Based Virtual Screening Using Glide Workshop Tutorial | molecular visualization, SBDD, virtual screening, docking | HTML, PDF | Videos, Seminars | Glide |
| Introduction to Structure Visualization and Preparation Workshop Tutorial | LBDD, molecular visualization, SBDD | HTML, PDF | Videos, Seminars | Maestro |