I only choose scientific problems that have big impact on our knowledge and the entire society. To fulfill this objective, I have identified 2 major protein groups, which are the kinases and DHFR. They have been implicated in a lot of signalling pathways and human diseases, such as cancer and inflammation.
The research goal is to be able to come up with methods that allow for binding affinity prediction to facilitate rationale drug design from protein structure.
A lot of drug researchers do not synthesize their compounds in a rational and interpretable ways. Most Quantitative Structure-Activity Relationship methods does not rely on the structure in a way that are understandable by common sense but by pushing the physico-chemical properties in equation and hope they will come up correlating with the binding parameters. Only by observing large amount of distances, shape, and charge complementary in the homologous pockets, that would allow me to dissect binding affinity in a human interpretable way.