Emad Tajkhorshid, PhD
Emad Tajkhorshid, PhD
Professor of Biochemistry and Biophysics, University of Illinois
Verified email at life.illinois.edu - Homepage
TitleCited byYear
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
125612005
Control of the selectivity of the aquaporin water channel family by global orientational tuning
E Tajkhorshid, P Nollert, MØ Jensen, LJW Miercke, J O'Connell, ...
Science 296 (5567), 525-530, 2002
8942002
Structural mechanism of plant aquaporin gating
S Törnroth-Horsefield, Y Wang, K Hedfalk, U Johanson, M Karlsson, ...
Nature 439 (7077), 688, 2006
7412006
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
6512003
Energetics of glycerol conduction through aquaglyceroporin GlpF
MØ Jensen, S Park, E Tajkhorshid, K Schulten
Proceedings of the National Academy of Sciences 99 (10), 6731-6736, 2002
3772002
Theory and simulation of water permeation in aquaporin-1
F Zhu, E Tajkhorshid, K Schulten
Biophysical Journal 86 (1), 50-57, 2004
3102004
Pressure-induced water transport in membrane channels studied by molecular dynamics
F Zhu, E Tajkhorshid, K Schulten
Biophysical journal 83 (1), 154-160, 2002
2942002
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
2632013
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
2062009
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
2051998
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
2042005
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
1992006
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
1962002
Collective diffusion model for water permeation through microscopic channels
F Zhu, E Tajkhorshid, K Schulten
Physical review letters 93 (22), 224501, 2004
1872004
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, 2012
1852012
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
1782007
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
1762004
Electrostatic tuning of permeation and selectivity in aquaporin water channels
MØ Jensen, E Tajkhorshid, K Schulten
Biophysical journal 85 (5), 2884-2899, 2003
1712003
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
1702005
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
1682004
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