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
James C. GumbartGeorgia TechVerified email at physics.gatech.edu
Chris ChipotUniversity of Lorraine — University of Illinois, Urbana-ChampaignVerified email at Univ-Lorraine.fr
Po-Chao WenUniversity of Illinois at Urbana-ChampaignVerified email at illinois.edu
Elizabeth VillaHHMI and Department of Molecular Biology, University of California San DiegoVerified email at ucsd.edu
Rosemary BraunAssociate Professor - Molecular Biosciences, Applied Math, & Physics - Northwestern UniversityVerified email at northwestern.edu
Yi WangAssociate professor, Chinese University of Hong KongVerified email at cuhk.edu.hk
Shashank PantScientist, Computational ChemistryVerified email at loxooncology.com
Josh VermaasMichigan State UniversityVerified email at msu.edu
Laxmikant KaleProfessor or Computer Science, University of IllinoisVerified email at illinois.edu
Abhishek SingharoyAssociate professorVerified email at asu.edu
Benoit RouxProfessor of Biochemistry, The university of ChicagoVerified email at uchicago.edu
Javier L. BaylonMerckVerified email at merck.com
Christopher G MayneEli Lilly & Co.Verified email at lilly.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
Andres S. ArangoUniversity of Illinois at Urbana-ChampaignVerified email at illinois.edu
John E. StoneDistinguished Engineer, Scientific Visualization DevTech, NVIDIA CorporationVerified email at nvidia.com

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	19340	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), 2020	2400	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	1114	2002
Structural mechanism of plant aquaporin gating S Törnroth-Horsefield, Y Wang, K Hedfalk, U Johanson, M Karlsson, ... Nature 439 (7077), 688-694, 2006	1025	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	939	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	577	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	434	2002
Theory and simulation of water permeation in aquaporin-1 F Zhu, E Tajkhorshid, K Schulten Biophysical journal 86 (1), 50-57, 2004	417	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	399	2002
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	340	2017
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	311	2012
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	307	2016
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	279	2009
X-ray structures define human P2X₃ receptor gating cycle and antagonist action SE Mansoor, W Lü, W Oosterheert, M Shekhar, E Tajkhorshid, E Gouaux Nature 538 (7623), 66-71, 2016	267	2016
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	266	2018
Collective diffusion model for water permeation through microscopic channels F Zhu, E Tajkhorshid, K Schulten Physical review letters 93 (22), 224501, 2004	253	2004
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	248	2005
Characterization of lipid–protein interactions and lipid-mediated modulation of membrane protein function through molecular simulation MP Muller, T Jiang, C Sun, M Lihan, S Pant, P Mahinthichaichan, A Trifan, ... Chemical reviews 119 (9), 6086-6161, 2019	244	2019
Subangstrom resolution X-ray structure details aquaporin-water interactions U Kosinska Eriksson, G Fischer, R Friemann, G Enkavi, E Tajkhorshid, ... science 340 (6138), 1346-1349, 2013	244	2013
Energy transduction and alternating access of the mammalian ABC transporter P-glycoprotein B Verhalen, R Dastvan, S Thangapandian, Y Peskova, HA Koteiche, ... Nature 543 (7647), 738-741, 2017	241	2017

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