Emad Tajkhorshid, PhD
Emad Tajkhorshid, PhD
Professor of Biochemistry and Biophysics, University of Illinois
Verified email at illinois.edu - Homepage
Cited by
Cited by
Scalable molecular dynamics with NAMD
JC Phillips, R Braun, W Wang, J Gumbart, E Tajkhorshid, E Villa, C Chipot, ...
J. Comp. Chem 26, 1781-1802, 2005
Control of the selectivity of the aquaporin water channel family by global orientational tuning
E Tajkhorshid, P Nollert, MĜ Jensen, LJW Miercke, J O'Connell, ...
Science 296 (5567), 525-530, 2002
Structural mechanism of plant aquaporin gating
S Törnroth-Horsefield, Y Wang, K Hedfalk, U Johanson, M Karlsson, ...
Nature 439 (7077), 688-694, 2006
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
Rapid parameterization of small molecules using the force field toolkit
CG Mayne, J Saam, K Schulten, E Tajkhorshid, JC Gumbart
Journal of computational chemistry 34 (32), 2757-2770, 2013
Energetics of glycerol conduction through aquaglyceroporin GlpF
MĜ Jensen, S Park, E Tajkhorshid, K Schulten
Proceedings of the National Academy of Sciences 99 (10), 6731-6736, 2002
Theory and simulation of water permeation in aquaporin-1
F Zhu, E Tajkhorshid, K Schulten
Biophysical Journal 86 (1), 50-57, 2004
Pressure-induced water transport in membrane channels studied by molecular dynamics
F Zhu, E Tajkhorshid, K Schulten
Biophysical journal 83 (1), 154-160, 2002
Structural basis for iron piracy by pathogenic Neisseria
N Noinaj, NC Easley, M Oke, N Mizuno, J Gumbart, E Boura, AN Steere, ...
Nature 483 (7387), 53-58, 2012
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
Molecular dynamics simulations of proteins in lipid bilayers
J Gumbart, Y Wang, A Aksimentiev, E Tajkhorshid, K Schulten
Current opinion in structural biology 15 (4), 423-431, 2005
Structure and Vibrational Spectra of the Zwitterion l-Alanine in the Presence of Explicit Water Molecules:  A Density Functional Analysis
E Tajkhorshid, KJ Jalkanen, S Suhai
The Journal of Physical Chemistry B 102 (30), 5899-5913, 1998
Collective diffusion model for water permeation through microscopic channels
F Zhu, E Tajkhorshid, K Schulten
Physical review letters 93 (22), 224501, 2004
Color tuning in rhodopsins: the mechanism for the spectral shift between bacteriorhodopsin and sensory rhodopsin II
M Hoffmann, M Wanko, P Strodel, PH König, T Frauenheim, K Schulten, ...
Journal of the American Chemical Society 128 (33), 10808-10818, 2006
Scalable molecular dynamics on CPU and GPU architectures with NAMD
JC Phillips, DJ Hardy, JDC Maia, JE Stone, JV Ribeiro, RC Bernardi, ...
The Journal of chemical physics 153 (4), 044130, 2020
Exploring gas permeability of cellular membranes and membrane channels with molecular dynamics
Y Wang, J Cohen, WF Boron, K Schulten, E Tajkhorshid
Journal of structural biology 157 (3), 534-544, 2007
Classical force field parameters for the heme prosthetic group of cytochrome c
F Autenrieth, E Tajkhorshid, J Baudry, Z Luthey‐Schulten
Journal of computational chemistry 25 (13), 1613-1622, 2004
Molecular dynamics investigation of primary photoinduced eventsin the activation of rhodopsin
J Saam, E Tajkhorshid, S Hayashi, K Schulten
Biophysical journal 83 (6), 3097-3112, 2002
The mechanism of proton exclusion in aquaporin channels
B Ilan, E Tajkhorshid, K Schulten, GA Voth
Proteins: Structure, Function, and Bioinformatics 55 (2), 223-228, 2004
What makes an aquaporin a glycerol channel? A comparative study of AqpZ and GlpF
Y Wang, K Schulten, E Tajkhorshid
Structure 13 (8), 1107-1118, 2005
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