Events
Exploring accessible R-groups using electrostatics and shape
January 14th, 11am - 1pm
Prompt start time | Description |
11:00am |
Registration and refreshments |
11:10am |
Exploring accessible R-groups using electrostatics and shapeSpark™ offers a rapid strategy for the identification of R-group replacements to explore new space. You will learn how to find biologically equivalent replacements using the electrostatic and shape character for key moieties in your molecule. Topics covered include R-group replacement and growing a ligand into new space, guided by existing ligands mapping a different region of the active site of your protein. |
12:30pm | Lunch |
13:00pm | Close |
Who should attend and why
Who should attend
- Medicinal chemists
- Synthetic chemists
- Computational chemists
Why attend
- Learn essential skills to enhance your comp chem toolbox
- Facilitate increased engagement with your computational chemistry team
- All attendees will receive a 60 DAY FREE TRIAL of Cresset desktop solutions