Yead Jewel

Postdoctoral Research Associate

Email: [email protected]
Work: 865.241.6769

E367, Bldg. 2040
1 Bethel Valley Rd.
Oak Ridge, TN 37831-6309


Education / Biography

Ph.D. Washington State University, WA, 2012-2017

M.Sc. Tuskegee University, AL, 2010-2012

B.S. Bangladesh University of Engineering and Technology, Dhaka, 2001-2005


Google Scholar:



Research Interests


  • Area A:
    Cancer vaccine design, Peptide binding affinity prediction, Homology modeling

  • Area B:
    Drug design, Protein ligand interactions, Binding site prediction, GPU based code for supercomputer

  • Area C:
    Force field development from analogy, Hybrid coarse grained molecular dynamics simulation

  • Area D:
    Free energy methods, Biased energy calculations

  • Area E:
    Protein/Enzyme conformational changes, Protein folding, Transporter and transmembrane proteins, Ribonucleotide reductaseProtein RNA interactions

  • Area F:
    Li+ ion battery, Protein based ion conductor, Protein ion channel




“Coarse-grained Simulations of Proton-dependent Conformational Changes in Lactose Permease”
Y Jewel, J Liu, P Dutta Proteins 84 (8), C1, 2016 (cover image)
“Decoupled Ion Transport in a Protein-Based Solid Ion Conductor” X W Fu, Y Jewel, Y WANG, J Liu, WH Zhong
The Journal of Physical chemistry Letters 7(21), 4304-4310, 2016
“Potential Application and Molecular Mechanisms of Soy Protein on the Enhancement of Graphite
Nanoplatelet Dispersion” Y Jewel, T Liu, A Eyler, WH Zhong, J Liu The Journal of Physical Chemistry C 119 (47),
26760-26767, 2015
“Exploration of Sugar Transport Across Lactose Permease Through Coarse-grained Simulations” Y Jewel, P
Dutta, J Liu, Proteins, 85 (10), 1856-1865, 2017
“Self-Assembled Peptides for Coating of Active Sulfur Nanoparticles in Lithium-Sulfur Battery”
Y Jewel, K Yoo, J Liu, P Dutta Journal of Nanoparticle Research 18 (3), 1-9 , 2016
“Coarse-grained Simulations of Conformational Changes in Multidrug Resistance Transporter Proteins” Y
Jewel, P Dutta, J Liu Molecular BioSystems, 13, 2006-2014, 2017
“Substrate Dependent Conformational Changes of Multidrug Resistance Transporter Proteins AcrB” Y Jewel,
P Dutta, J Liu Bio-chemistry, under review

“Coarse-grained Simulation of Conformational changes in Multidrug Resistance Transporter Protein”
Y Jewel, P Dutta, J Liu APS DFD 69th Annual APS DFD Meeting, 2016
“Coarse-grained Molecular Dynamics Simulations of Sugar Transport Across Lactose Permease”
Y Jewel, P Dutta, J Liu ASME 2015 International Mechanical Engineering Congress and Exposition, 2015
“Dislocation-Interface Interaction Mechanisms in Nanoscale Laminates with Enhanced Interface Models” Y
Jewel, F Akasheh TMS 2012 Annual Meeting & Exhibition