Home Department: Physics

Telephone: (217) 244-1733

Office: 3165 Beckman Institute 405 N Mathews, Urbana, IL 61801

Email: akhalili@ks.uiuc.edu


Research Interests:


  • Bimodal phonon scattering in graphene grain boundaries. Poya Yasaie, Arman Fathizadeh, Reza Hantehzadeh, Arnab Majee, Ahmed El-Gahndoor, David Estrada, Craig Foster, Zlatan Aksamija, Fatemeh Khalili-Araghi, and Amin Salehi-Khojin. Nano Letters, In press, 2015

  • A structural rearrangement of the Na+/K+ ATPase traps ouabain within the external ion permeation pathway. Jorge Sanchez-Rodriguez, Fatemeh Khalili-Araghi, Pablo Miranda, Benoit Roux, Miguel Holmgren, and Francisco Bezanilla. Journal of Molecular Biology, 426:1335-44, 2015

  • Molecular dynamics simulations of membrane proteins under asymmetric ionic concentrations. Fatemeh Khalili-Araghi, Brigitte Ziervogel, James Gumbart, and Benoit Roux. Journal of General Physiology, 142:465-475, 2013.

  • An emerging consensus on voltage-dependent gating from computational modeling and molecular dynamics simulations. Ernesto Vargas, Vladimir Yarov-Yarovoy, Fatemeh Khalili-Araghi, William A. Catterall, Michael L. Klein, Mounir Tarek, Erik Lindahl, Klaus Schulten, Eduardo Perozo, Francisco Bezanilla, and Benoit Roux. Journal of General Physiology, 140:587-594, 2012.

  • Molecular dynamics investigation of the w-current in the Kv1.2 voltage sensor domains. Fatemeh Khalili-Araghi, Emad Tajkhoshid, Benoit Roux, and Klaus Schulten. Biophysical Journal, 102:258-267, 2012.

  • Constant electric field simulations of the membrane potential illustrated with simple systems. James Gumbart, Fatemeh Khalili-Araghi, Marcos Sotomayor, and Benoit Roux. Biochimica et Biophysica Acta (BBA) - Biomembranes, 1818:294-302, 2012.

  • On the sensing mechanism in carbon nanotube chemireistors. Amin Salehi-Khojin, Fatemeh Khalili-Araghi, Marcelo A. Kuroda, Kevin Y. Lin, Jean-Pierre Leburton, and Richard I. Masel. ACS Nano, 5:153-8, 2011.

  • Ouabain binding site in a functional Na+/K+ ATPase. Walter Sandtner, Bernhard Egwolf, Fatemeh Khalili-Araghi, Jorge E. Sanchez-Rodriguez, Benoit Roux, Francisco Bezanilla, and Miguel Holmgren. Journal of Biological Chemistry, 286:38177-83, 2011.

  • Calculation of the gating charge for the Kv1.2 voltage-activated potassium channel. Fatemeh Khalili-Araghi, Vishwanath Jogini, Vladimir Yarov-Yarovoy, Emad Tajkhorshid, Benoit Roux, and Klaus Schulten. Biophysical Journal, 98:2189-2198, 2010.

  • Molecular dynamics simulations of membrane channels and transporters. Fatemeh Khalili-Araghi, James Gumbart, Po-Chao Wen, Marcos Sotomayor, Emad Tajkhorshid, and Klaus Schulten. Current Opinion in Structural Biology, 19:128-137, 2009.

  • Dynamics of K+ ion conduction through Kv1.2 . Fatemeh Khalili-Araghi, Emad Tajkhorshid, and Klaus Schulten. Biophysical Journal , 91:L72-L74, 2006.

  • Free energy calculation from steered molecular dynamics simulations using Jarzynski's equality. Sanghyun Park, Fatemeh Khalili-Araghi, Emad Tajkhorshid, and Klaus Schulten. Journal of Chemical Physics, 119:3559-3566, 2003.