Emad Tajkhorshid, PhD

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Klaus SchultenProfessor of Physics, University of Illinois at Urbana-ChampaignE-mail confirmado em ks.uiuc.edu
James C PhillipsSenior Research Programmer, National Center for Supercomputing Applications, University of IllinoisE-mail confirmado em illinois.edu
James C. GumbartGeorgia TechE-mail confirmado em physics.gatech.edu
Chris ChipotUniversity of Lorraine — University of Illinois, Urbana-ChampaignE-mail confirmado em Univ-Lorraine.fr
Po-Chao WenUniversity of Illinois at Urbana-ChampaignE-mail confirmado em illinois.edu
Elizabeth VillaHHMI and Department of Molecular Biology, University of California San DiegoE-mail confirmado em ucsd.edu
Rosemary BraunAssociate Professor - Molecular Biosciences, Applied Math, & Physics - Northwestern UniversityE-mail confirmado em northwestern.edu
Yi WangAssociate professor, Chinese University of Hong KongE-mail confirmado em cuhk.edu.hk
Shashank PantScientist, Computational ChemistryE-mail confirmado em loxooncology.com
Laxmikant KaleProfessor or Computer Science, University of IllinoisE-mail confirmado em illinois.edu
Josh VermaasMichigan State UniversityE-mail confirmado em msu.edu
Abhishek SingharoyAssociate professorE-mail confirmado em asu.edu
Benoit RouxProfessor of Biochemistry, The university of ChicagoE-mail confirmado em uchicago.edu
Javier L. BaylonMerckE-mail confirmado em merck.com
Christopher G MayneEli Lilly & Co.E-mail confirmado em lilly.com
Tao JiangNIH Center for Macromolecular Modeling and Bioinformatics, University of IllinoisE-mail confirmado em illinois.edu
Mahmoud MoradiDepartment of Chemistry and Biochemistry, University of ArkansasE-mail confirmado em uark.edu
Taras PogorelovUniversity of Illinois at Urbana-ChampaignE-mail confirmado em illinois.edu
Andres S. ArangoUniversity of Illinois at Urbana-ChampaignE-mail confirmado em illinois.edu
John E. StoneDistinguished Engineer, Scientific Visualization DevTech, NVIDIA CorporationE-mail confirmado em nvidia.com

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Emad Tajkhorshid, PhD

Professor of Biochemistry and Biophysics, University of Illinois

E-mail confirmado em illinois.edu - Página inicial

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	19189	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	2252	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	1107	2002
Structural mechanism of plant aquaporin gating S Törnroth-Horsefield, Y Wang, K Hedfalk, U Johanson, M Karlsson, ... Nature 439 (7077), 688-694, 2006	1013	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	928	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	563	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	415	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	395	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	328	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	305	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	299	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	274	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	265	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	260	2018
Collective diffusion model for water permeation through microscopic channels F Zhu, E Tajkhorshid, K Schulten Physical review letters 93 (22), 224501, 2004	249	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	247	2005
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	240	2006
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	239	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	238	2017

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