Dr. Zeinab Haratipour

Biochemistry

Dr. Zeinab Haratipour's research interests primarily revolve around computational structural modeling and virtual ligand screening of target proteins, with a particular focus on nuclear receptor proteins. Her goal is to identify suitable ligands for these target proteins through in silico docking simulations involving a large compound library. This process enables them to pinpoint a select few compounds exhibiting the highest binding affinity. Furthermore, they employ molecular dynamics simulations to evaluate the stability of the ligand-protein complex and investigate how the ligand impacts the protein's structural dynamics.

Additionally, her secondary research interest involves modeling the full-length structure of nuclear receptors for which crystallographic data is unavailable. This entails the application of computational molecular modeling techniques and protein-protein docking methods to predict the three-dimensional structure of these receptors.

Above is an example of protein-ligand docking involving a group of compounds. These compounds have been superimposed within the binding pocket of the LRH1 protein.