Prof. Rao is a Biophysicist and Structural Biologist, mainly engaged in the study of crystal or CryoEM structures of proteins and pathogens related to human infection, as well as in the development of innovative drug treatment. To date, Prof Rao has published 335 peer-reviewed papers in international scientific journals with over 12,000 citations.

Prof. Rao focused on the study of the three-dimensional structures of significant proteins and viruses related to human infection disease or with important physiological functions, as well as in innovative drug discovery. Since 2003, Prof. Rao has been elected as a Member of Chinese Academy of Sciences, Member of Academy of Sciences for Developing Countries, Fellow of Hertford College, University of Oxford, Member of International Eurasian Academy of Sciences, Fellow of the Royal Society of Edinburgh, Honorary Doctor of University of Glasgow and Hong Kong Baptist University. From 2014-2017, Prof. Rao served as the President of International Union for Pure and Applied Biophysics (IUPAB). From 2006-2017, he served as the Chairman of Biophysics Society of China.