Talks & Lectures
1 Oct 2021
Virtual Event - Link Below

Integrating Machine Learning and Molecular Modeling for Drug Design

Department of Chemistry and Chemical Biology

photo of Dr. Yingkai Zhang


The overall goal of ourlab is to develop and apply state-of-the-art computational tools for rational drug design. In this talk, I will present our recent advances in targeting protein-protein interactions, developing machine-learning based protein-ligand scoring functions, and advancing deep learning models to explore chemical space of 3D geometries.


Yingkai Zhang is a professor in Department of Chemistry at New York University. He received his B.S. degree in Chemistry from Nanjing University and his Ph.D. degree from Duke University. His postdoctoral research was conducted at Howard Hughes Medical Institute, University of California at San Diego. He was a recipient of the National Science Foundation CAREER Award, and Maximizing Investigators' Research Award (MIRA) from National Institute of General Medical Sciences. His current research interests are: integrated molecular modeling and machine learning, rational drug design to target enzymes and protein-protein interactions, and computer simulations of biomolecular systems.

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