Shikha Nangia


  • Ph. D. Chemistry (2006) University of Minnesota, Twin Cities
  • M.Sc. Chemistry (2000) Indian Institute of Technology, Delhi, India
  • B.Sc. Chemistry (1998) University of Delhi, Delhi, India

Lab/Center Affiliation:

  • Syracuse Biomaterials Institute

Research interests:

  • Blood-brain barrier
  • Targeted cancer drug delivery
  • Multiscale modeling of nanomaterials
  • Nanomedicine
  • Virus nanotechnology

Current Research:

My research group focuses on studying blood-brain barrier using theoretical and computational techniques. The goal is to enable the transport of drug molecules across the blood-brain barrier, which has been the biggest impediment for finding a cure for brain related ailments such as Alzheimer’s and Parkinson’s diseases. This project was funded through the NSF-CAREER award.

Additionally, we our group focuses on computational multiscale modeling of nanomaterials, including nanomedicine, drug delivery nanocarriers, and nano-bio interactions. The goal of this research is to design efficient nanosized drug delivery carriers to target cancer tumor cells that hold the key to a new era of cancer treatment. To achieve our research goals we are developing quantitative approaches for characterizing interaction of nanoscale entities with living matter (serum, cell-membranes, cells). Our computational approaches are directed to analyze these complex nano-bio interactions in an effort to design safe and smart drug delivery nanocarriers.

Courses Taught:

  • Statistical thermodynamics
  • Multiscale computational methods
  • Reaction kinetics
  • Engineering Materials, Properties, and Processing


  • 2017 Dean’s Award for Excellence in Education
  • 2017 Meredith Teaching Recognition Award
  • 2016 College Technology Educator of the Year, Technical Alliance of Central New York
  • 2016 ACS OpenEye Outstanding Junior Faculty Award
  • 2015 Nappi Research Competition Award
  • NSF CAREER award (2015)
  • Faculty Excellence Award, College of Engineering and Computer Science, Syracuse University (2015)

Recent Publications:

Modeling diversity in structures of bacterial outer membrane lipids H. Ma, D. D. Cummins, N. B. Edelstein, J. Gomez, A. Khan, M. D. Llewellyn, T. Picudella,  S. R. Willsey and S. Nangia, Journal of Chemical Theory and Computation, 13, 811–824 (2017).

Drug-specific design of telodendrimer architecture for effective Doxorubicin encapsulation, W. Jiang, X. Wang, D. Guo, J. Luo, and S. Nangia, Journal of Physical Chemistry B, 120, 9766–9777 (2016).

Molecular architecture of the blood-brain barrier tight junction proteins–A synergistic computational and in vitro approach, F. J. Irudayanathan, J. P. Trasatti, P. Karande, and S. Nangia, Journal of Physical Chemistry B, 120, 77–88 (2016).

Simulating gram-negative bacterial outer membrane: A coarse grain model, H. Ma, F. J. Irudayanathan, W. Jiang, and S. Nangia, Journal of Physical Chemistry B, 119, 14668–14682 (2015).

Signaling factor interactions with polysaccharide aggregates of bacterial biofilms, S. C. DeSalvo, Y. Liu, G. Choudhary, D. Ren, S. Nangia, and R. Sureshkumar, Langmuir, 31 1958-1966 (2015).

Multiscale approach to investigate self-assembly of telodendrimer based nanocarriers for anticancer drug-delivery, W. Jiang, J. Luo, and S. Nangia, Langmuir, 31 4270-4280 (2015).

Optical signature of formation of protein corona in the firefly luciferase-CdSe quantum dot complex, J.M. Elward, F.J. Irudayanathan, S. Nangia, and A. Chakraborty, Journal of Chemical Theory and Computation, 10, 5534-5524 (2014). Featured on the cover.

A Structure-Property Relationship Study of the Well-Defined Telodendrimers to Improve Hemocompatibility of Nanocarriers for Anticancer Drug Delivery, C.Shi, D.i Yuan, S. Nangia, G. Xu, K. S. Lam, and J. Luo, Langmuir, 30, 6878-6888 (2014).

Effect of nanoparticle charge and shape anisotropy on translocation through cell membranes, S. Nangia and R. Sureshkumar, Langmuir, 28, 17666-17671 (2012). Featured on the cover.