Accurately predicting the interaction between a protein target and a small molecule is the key to Vitae’s discovery and development efforts. To support the application of its proprietary computational technologies and to drive the discovery programs in medicinal chemistry, Vitae Pharmaceuticals has established a world-class, structural biology team. Our capabilities include state-of-the-art cloning, protein expression, purification and crystallization. To conduct x-ray diffraction studies, we have on-going access to multiple synchrotron facilities. This has allowed the Vitae Pharmaceuticals structural biology team to solve numerous high resolution crystal structures across a wide range of target classes, allowing for rapid validation of in silico results and the discovery of new and unexpected binding modes.