Srirupa Chakraborty

Assistant Professor,  Chemical Engineering
Assistant Professor,  Chemistry and Chemical Biology



  • 224 CN

Research Focus

Theoretical biology and biophysics


Srirupa Chakraborty obtained a PhD in Biophysics from the State University of New York at Buffalo in 2016, prior to which she had earned a B.S. in Physics from Presidency College, University of Calcutta, followed by M.S. in Physics from the Indian Institute of Technology – Guwahati (India). After a brief stint as a visiting scientist at IBM Watson Research Center where her research on cognitive learning platform design led to two patents, she has been a postdoctoral researcher at Los Alamos National Laboratory. There, her work developing novel tools and techniques to bridge in silico results and experimental data through theoretical modeling was recognized with the Wiley Computers in Chemistry Outstanding Research Award by the American Chemical Society in 2020, and an award by the Consortia for HIV/AIDS Vaccine Development (CHAVD) in 2019. Her research focus is in the interface of biology, chemistry and physics, where she uses computer-aided structural modeling and simulations of biomolecules. Her current research aims to elucidate the conformational dynamics of viral envelope glycoproteins and other densely glycosylated systems, ultimately designing knowledge-based therapeutic strategies and novel biomaterials.


  • PhD, Biophysics, University of Buffalo, 2017

Research Overview

Theoretical biology and biophysics

Selected Publications

  • Srirupa Chakraborty*, Zachary Berndsen*, Nicolas Hengartner, Bette Korber, Andrew Ward, S. Gnanakaran, “Quantification of the Resilience and Vulnerability of HIV-1 Native Glycan Shield at Atomistic Detail” – iScience 2020 DOI: 10.1016/j.isci.2020.101836.
  • Zachary Berndsen*, Srirupa Chakraborty*, Xiaoning Wang, Christopher Cottrell, Jonathan Torres, Jolene Diedrich, Cesar A. Lopez, John Robert Yates, Marit Van-Gils, James Paulson, S Gnanakaran, Andrew Ward, “Visualization of the HIV-1 Env Glycan Shield Across Scales” – Proceedings of National Academy of Sciences USA (PNAS), 2020 202000260. DOI: 10.1073/pnas.2000260117
  • Rachael Mansbach, Srirupa Chakraborty, Timothy Travers, S Gnanakaran, “Graph-Directed Approach for Downselecting Toxins for Experimental Structure Determination”– Marine Drugs 18 (5) 256, 2020
Srirupa Chakraborty


Jan 03, 2022

New Faculty Spotlight: Srirupa Chakraborty

Srirupa Chakraborty joins the Chemical Engineering department in January 2022 as an Assistant Professor with a joint appointment in Chemistry and Chemical Biology.

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