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Headshot photo of Xiang Simon Wang

Xiang Simon Wang

Associate Professor

  • Pharmaceutical Sciences
  • College of Pharmacy


Dr. Simon Wang is currently a tenured associate professor at the Department of Pharmaceutical Sciences, Howard University College of Pharmacy (HU COP). He also directs the Artificial Intelligence and Drug Discovery Core Laboratory for District of Columbia Center for AIDS Research (DC CFAR). Dr. Wang has about 20 years of experience in computer-aided drug design (CADD), machine learning, structure-based drug design (SBDD), high-throughput screening (HTS), biomolecular simulation, and modern medicinal chemistry. He has published about 50 peer-reviewed research articles, reviews, book chapters and patents as well as 190 conference abstracts and invited lectures, also been awarded more than 20 university-, state-, federal- and internationally-funded grants. Dr. Wang has been a long-time reviewer for over 45 major research journals including Journal of Medicinal Chemistry and Journal of Chemical Information and Modeling, also served in review panels for funding agencies such as National Institute of Health (NIH), National Aeronautics and Space Administration (NASA), American Association of Colleges of Pharmacy (AACP) and Alzheimer’s Drug Discovery Foundation (ADDF). In recent years, Dr. Wang has been keen on adapting Virtua Reality (VR), Augmented Reality (AR), and Artificial Intelligence (AI) onto pharmacy professional education as well as drug discovery research.