Emad Tajkhorshid, PhD

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Klaus SchultenProfessor of Physics, University of Illinois at Urbana-ChampaignVerified email at ks.uiuc.edu
James C PhillipsSenior Research Programmer, National Center for Supercomputing Applications, University of IllinoisVerified email at illinois.edu
Chris ChipotUniversity of Lorraine — University of Illinois, Urbana-ChampaignVerified email at Univ-Lorraine.fr
James C. GumbartGeorgia TechVerified email at physics.gatech.edu
Po-Chao WenUniversity of Illinois at Urbana-ChampaignVerified email at illinois.edu
Rosemary BraunAssociate Professor - Molecular Biosciences, Applied Math, & Physics - Northwestern UniversityVerified email at northwestern.edu
Elizabeth VillaHHMI and Department of Molecular Biology, University of California San DiegoVerified email at ucsd.edu
Yi WangAssociate professor, Chinese University of Hong KongVerified email at cuhk.edu.hk
Josh VermaasMichigan State UniversityVerified email at msu.edu
Shashank PantScientist, Computational ChemistryVerified email at loxooncology.com
Laxmikant KaleProfessor or Computer Science, University of IllinoisVerified email at illinois.edu
Benoit RouxProfessor of Biochemistry, The university of ChicagoVerified email at uchicago.edu
Abhishek SingharoyAssistant professorVerified email at asu.edu
Javier L. BaylonMerckVerified email at merck.com
Tao JiangNIH Center for Macromolecular Modeling and Bioinformatics, University of IllinoisVerified email at illinois.edu
Mahmoud MoradiDepartment of Chemistry and Biochemistry, University of ArkansasVerified email at uark.edu
Taras PogorelovUniversity of Illinois at Urbana-ChampaignVerified email at illinois.edu
Christopher G MayneCelgeneVerified email at celgene.com
Sundar Thangapandian PhDHotspot TherapeuticsVerified email at illinois.edu
Andres S. ArangoUniversity of Illinois at Urbana-ChampaignVerified email at illinois.edu

Emad Tajkhorshid, PhD

Professor of Biochemistry and Biophysics, University of Illinois

Verified email at illinois.edu - Homepage

Computational Structural Biology Molecular Biophysics Molecular Simulation


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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	17725	2005
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	1212	2020
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	1052	2002
Structural mechanism of plant aquaporin gating S Törnroth-Horsefield, Y Wang, K Hedfalk, U Johanson, M Karlsson, ... Nature 439 (7077), 688-694, 2006	934	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	850	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	490	2013
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	423	2002
Theory and simulation of water permeation in aquaporin-1 F Zhu, E Tajkhorshid, K Schulten Biophysical journal 86 (1), 50-57, 2004	388	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	366	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	272	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	246	2009
Mitochondrial VDAC1: a key gatekeeper as potential therapeutic target AKS Camara, YF Zhou, PC Wen, E Tajkhorshid, WM Kwok Frontiers in physiology 8, 460, 2017	242	2017
Estrogen receptor alpha somatic mutations Y537S and D538G confer breast cancer endocrine resistance by stabilizing the activating function-2 binding conformation SW Fanning, CG Mayne, V Dharmarajan, KE Carlson, TA Martin, ... elife 5, e12792, 2016	239	2016
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	236	2005
Collective diffusion model for water permeation through microscopic channels F Zhu, E Tajkhorshid, K Schulten Physical review letters 93 (22), 224501, 2004	236	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	234	2006
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	227	1998
Structure of the alternative complex III in a supercomplex with cytochrome oxidase C Sun, S Benlekbir, P Venkatakrishnan, Y Wang, S Hong, J Hosler, ... Nature 557 (7703), 123-126, 2018	217	2018
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	216	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	213	2004

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