Fatemeh Khalili-Araghi
Fatemeh Khalili-Araghi
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Free energy calculation from steered molecular dynamics simulations using Jarzynski’s equality
S Park, F Khalili-Araghi, E Tajkhorshid, K Schulten
The Journal of chemical physics 119 (6), 3559-3566, 2003
Molecular dynamics simulations of membrane channels and transporters
F Khalili-Araghi, J Gumbart, PC Wen, M Sotomayor, E Tajkhorshid, ...
Current opinion in structural biology 19 (2), 128-137, 2009
An emerging consensus on voltage-dependent gating from computational modeling and molecular dynamics simulations
E Vargas, V Yarov-Yarovoy, F Khalili-Araghi, WA Catterall, ML Klein, ...
Journal of General Physiology 140 (6), 587-594, 2012
A lithium–oxygen battery with a long cycle life in an air-like atmosphere
M Asadi, B Sayahpour, P Abbasi, AT Ngo, K Karis, JR Jokisaari, C Liu, ...
Nature 555 (7697), 502-506, 2018
Calculation of the gating charge for the Kv1. 2 voltage-activated potassium channel
F Khalili-Araghi, V Jogini, V Yarov-Yarovoy, E Tajkhorshid, B Roux, ...
Biophysical journal 98 (10), 2189-2198, 2010
Stable and selective humidity sensing using stacked black phosphorus flakes
P Yasaei, A Behranginia, T Foroozan, M Asadi, K Kim, F Khalili-Araghi, ...
ACS nano 9 (10), 9898-9905, 2015
Dynamics of K+ ion conduction through Kv1. 2
F Khalili-Araghi, E Tajkhorshid, K Schulten
Biophysical journal 91 (6), L72-L74, 2006
Constant electric field simulations of the membrane potential illustrated with simple systems
J Gumbart, F Khalili-Araghi, M Sotomayor, B Roux
Biochimica et Biophysica Acta (BBA)-Biomembranes 1818 (2), 294-302, 2012
On the sensing mechanism in carbon nanotube chemiresistors
A Salehi-Khojin, F Khalili-Araghi, MA Kuroda, KY Lin, JP Leburton, ...
ACS nano 5 (1), 153-158, 2011
Bimodal phonon scattering in graphene grain boundaries
P Yasaei, A Fathizadeh, R Hantehzadeh, AK Majee, A El-Ghandour, ...
Nano letters 15 (7), 4532-4540, 2015
Ouabain binding site in a functioning Na+/K+ ATPase
W Sandtner, B Egwolf, F Khalili-Araghi, JE Sánchez-Rodríguez, B Roux, ...
Journal of Biological Chemistry 286 (44), 38177-38183, 2011
Molecular dynamics investigation of the ω-current in the Kv1. 2 voltage sensor domains
F Khalili-Araghi, E Tajkhorshid, B Roux, K Schulten
Biophysical journal 102 (2), 258-267, 2012
Molecular dynamics simulations of membrane proteins under asymmetric ionic concentrations
F Khalili-Araghi, B Ziervogel, JC Gumbart, B Roux
Journal of General Physiology 142 (4), 465-475, 2013
Interfacial Thermal Transport in Monolayer MoS2‐ and Graphene‐Based Devices
P Yasaei, CJ Foss, K Karis, A Behranginia, AI El‐Ghandour, A Fathizadeh, ...
Advanced Materials Interfaces 4 (17), 1700334, 2017
Molecular determination of claudin-15 organization and channel selectivity
P Samanta, Y Wang, S Fuladi, J Zou, Y Li, L Shen, C Weber, ...
Journal of General Physiology 150 (7), 949-968, 2018
A structural rearrangement of the Na+/K+-ATPase traps ouabain within the external ion permeation pathway
JE Sánchez-Rodríguez, F Khalili-Araghi, P Miranda, B Roux, M Holmgren, ...
Journal of molecular biology 427 (6), 1335-1344, 2015
New Class of Electrocatalysts Based on 2D Transition Metal Dichalcogenides in Ionic Liquid
L Majidi, P Yasaei, RE Warburton, S Fuladi, J Cavin, X Hu, Z Hemmat, ...
Advanced Materials, 1804453, 2018
Effect of surface termination on the lattice thermal conductivity of monolayer Ti3C2Tz Mxenes
H Gholivand, S Fuladi, Z Hemmat, A Salehi-Khojin, F Khalili-Araghi
Journal of Applied Physics 126, 065101, 2019
Modeling and Analysis of Intercalant Effects on Circular DNA Conformation
E Krueger, J Shim, A Fathizadeh, AN Chang, B Subei, KM Yocham, ...
ACS Nano 10 (9), 8910–8917, 2016
Case Study: Structure of Ion Channels
J Cohen, F Khalili-Araghi
Obtenido de Theoretical and Computational Biophysics Group: http://www. ks …, 0
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