Exploring accessible R-groups using electrostatics and shape
Lunch and learn, hands-on software workshop
Spark™ 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 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.