- PrimeX enables efficient protein crystal structure refinement -

NEW YORK, NY (November 10, 2008) - Schrödinger announced today that it will provide PrimeX , its comprehensive package for protein crystal structure refinement, to academic researchers to use free of charge until June 30, 2009. PrimeX provides all the software tools needed to refine a protein crystal structure and produce a molecular model immediately useful for downstream drug discovery calculations.

Other protein crystal structure refinement programs produce molecular models that explain the experimental data, but these models usually lack essential features required for calculations that are typically used in drug discovery. These shortcomings in the model generally must be remedied by modelers after the refinement process is complete, but then there is uncertainty as to whether the model still agrees with the experimental data.

"As a leading innovator in molecular modeling, Schrödinger is pleased to introduce PrimeX to academic researchers, so they can assess for themselves the benefits of the program's accuracy, efficiency, and ease-of-use," said Dr. Ramy Farid , Schrödinger's President. "A protein model refined with PrimeX accurately reflects the experimental data and has none of the shortcomings that interfere with subsequent calculations such as virtual screening and structure-based lead optimization."

PrimeX includes protein structure building and ligand placement tools that increase the efficiency of the protein crystal refinement process. The superb ease-of-use of PrimeX derives from an accessible graphical interface, integrated with Schrödinger's powerful, general-purpose molecular graphics program, Maestro . Other Schrödinger software tools are immediately available from the Maestro interface to assist in refinement. Each step of the refinement process is automatically documented in Maestro's spreadsheet-like Project Table. Taken together, these features significantly reduce the time and effort required from a scientist to refine a protein structure.

To register for the campaign, please visit: https://www.schrodinger.com/productpage/14/15/79/

Contact:
Shi-Yi Liu
(503) 299-1150
Shi-Yi.Liu@schrodinger.com