Exploring accessible R-groups using electrostatics and shape

January 14th, 11am - 1pm

Prompt start time Description

Registration and refreshments


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.

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


Registration is now closed


Meeting Room 18A, 18th Floor, Regus, 245 First Street, Riverview II, Cambridge, MA 02142