Schrödinger: Molecular and Materials Simulation Software

Schrödinger, LLC
Schrödinger, LLC

Dr. José A. Gascón 

We are happy to announce a recent agreement between UConn and Schrödinger Inc. on the acquisition of the Schrödinger’s Suite for Molecular and Materials Simulations.

Schrödinger’s Suite is a software package that can be used for: 1) lead discovery and lead optimization in the context of drug discovery; 2) atomic-scale simulation of chemical systems; 3) modeling biologics, antibodies, and proteins; and 4) production of stunning high-performance molecular graphics for communicating structural results. The majority of these applications can be accessed via a single graphical interface called Maestro. The software runs on Windows, Mac, and Linux systems.

The three-year agreement allows unlimited use of the software for all 5 campuses for students and faculty. Off campus access from personal computers can be done via UConn’s VPN.

This agreement was the result of substantial commitment from University Information Technology Services’ CIO and the Office of the Vice President for Research. Other essential contributions came from the Departments of Chemistry, Pharmaceutical Sciences, Molecular and Cell Biology, CLAS, and the Department of Molecular Biology and Biophysics at the Health Center.

Instructions on how to access the software can be found here:

The agreement also includes on-campus workshops at Storrs and Farmington every year. Details on these workshops will be announced by the beginning of the Fall semester.