Dr. Shuxing Zhang
The University of Texas MD Anderson Cancer Center
Department of Experimental Therapeutics
The research in my laboratory is dedicated to computer-assisted drug design and discovery, mainly in two disciplines: cheminformatics and bioinformatics. A strong interest is to develop active agents for targeted cancer therapy. We have been working on various targets, including Akt, TRAF6, Skp2, PKM2, microRNAs, etc. Another focus is to develop novel computational methods and strategies that are urgently needed for drug discovery and development. More specifically, we are interested in developing novel QSAR methods (machine learning and molecular descriptors), molecular docking/scoring functions, drug polypharmacology and multi-targeting agent design approaches, ADMET predictors, and high-performance computing-based virtual screening strategies.
In addition, we are interested in protein bioinformatics, in particular protein design and engineering. By studying the protein structure, we could delineate the critical residues in proteins for their functions, and thus generate testable hypotheses for experimental validations such as site-directed mutagenesis studies.