Science Events in Boston
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Exploring accessible R-groups using electrostatics and shape
January 14, 2020 - 11:00 am - 1:00 pm
Overview
Spark™ offers a rapid strategy for the identification of R-group replacements to explore new space. We will demonstrate in this hands-on workshop how Spark finds biologically equivalent replacements using electrostatic and shape character for key moieties in your molecule. Topics covered include R-group replacement, grow a ligand into new space, guided by existing ligands mapping a different region of the active site of your protein.
Hands-on: If you wish to follow along in this hands-on workshop then please bring a laptop (a download link to Spark will be provided before the event if needed).
Who should attend: Medicinal, synthetic and computational chemists with some experience of Spark.
