Exploring accessible R-groups using electrostatics and shape

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Exploring accessible R-groups using electrostatics and shape

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 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.