Machine Learning, Artificial Intelligence and Computational Chemistry in Drug Discovery for Cancer and Neurodegenerative Diseases

Letters & Science (College of) / Chemistry & Biochemistry


Research will involve development and application of novel machine learning, computational chemistry and biophysics approaches to gain fundamental understanding of remarkable biological processes and their relation to complex diseases. This knowledge will further be used to design small molecules either to inhibit or to enhance particular biological function facilitating drug discovery for cancer and neurodegenerative diseases (e.g., Alzheimer’s, Parkinson’s, Dementia). To achieve this goal, state-of-the-art computer aided drug discovery techniques will be implemented in collaboration with medicinal chemistry, biochemistry and experimental biophysical research groups (both in academia and in pharmaceutical industry).

Tasks and Responsibilities

Researchers will develop skills and expertise in advanced molecular modeling techniques (e.g., Machine Learning, Artificial Intelligence, Molecular Dynamics, Quantum Mechanics/Molecular Mechanics, Cheminformatics) as well as simulated exposure to computational drug discovery research as in Big Pharma.

Desired Qualifications

pursing a BS with a science major