A PhD position at Computational Chemistry at Lund University is open for application.

Calculating accurate estimates for the binding affinity of small molecules (e.g. drug candidates) to a macromolecular receptor (e.g. a protein) is one of the most important challenges of computational chemistry. The most promising approach is free energy perturbation (FEP), which normally gives a useful accuracy for pharmacy industry. However, for certain targets, the accuracy is much worse. In particular, metalloproteins, in which the drug candidate binds to the metal, provide a prominent problem for pharmaceutical applications. In this project, we will try to solve this problem with a hierarchy of computational approaches. 

For more information about the position and how to apply, please visit the announcement page (Varbi).