Understanding and predicting small molecule binding to G protein-coupled receptors (GPCRs)

发现严重疾病的新疗法是一个耗时且昂贵的过程。我们的工作涉及开发和测试新的计算建模方法，并通过实验验证来理解和预测当前和新药物如何与其靶点相互作用，这些方法可以扩展到更好地理解其他蛋白质如何工作。我们的方法有可能提高速度，降低成本，并导致发现严重致残性疾病的新疗法，如焦虑，抑郁，糖尿病和肥胖。

The discovery of new treatments for serious diseases is a time consuming and expensive process. Our work involves developing and testing new computational modelling approaches with experimental validation for the understanding and prediction of how current and new drugs interact with their targets, and these methods can be extended for improved understanding of how other proteins work. Our approaches have the potential to increase the speed, reduce the cost and lead to the discovery of new treatments for serious crippling diseases such as anxiety, depression, diabetes, and obesity.