University of Health Sciences and Pharmacy in St. Louis (UHSP)
My current research spans a multitude of interesting fields:
A. Development Side:
1- Development of an accurate and fast QM/MM-MD GPU-engine with a user-friendly interface
2- Development of various tools on top of the QM/MM-MD engine that will speed up the drug design process
B. Application Side:
1- Study the electron transfer process in the different reaction center complexes using the QM/MM-MD method to better understand those processes. Such study can aid in better harvesting solar energy and hence better designing new solar cells.
2- Drug design of new Mitocans against the newly discovered NQ site in the respiratory complex III.