Emad Tajkhorshid

Description

Address

  • 3147 Beckman Institute
  • 405 North Mathews Avenue
  • Urbana, Illinois 61801

Honors

Endowed Chair, Professor of Biochemistry, University of Illinois (2016-present); Innovative and Novel Computational Impact on Theory and Experiment Award (2015); University Scholar, University of Illinois (2015 – 2018); Recognized as exceptional by the campus committee on tenure and promotion in terms of the quality of work and achievement, and selected as one of the two top assistant to associate tenure packages of the year in the entire UIUC campus (2010); Winner of the Science and Engineering Visualization Challenge (organized by Science magazine and NSF and published in Science 305, 1905) (2004); An animation displaying the results of my simulation studies on aquaporin water channels is deposited at the Nobel Museum web site, in conjunction with the 2003 Nobel Prize in Chemistry, nobelprize.org/chemistry/laureates/2003/animations.html (2003).

Publications

  • 2017
    • J. V. Vermaas and E. Tajkhorshid (2017) Differential Membrane Binding Mechanics of Synaptotagmin Isoforms Observed at Atomic Detail. Biochemistry, 56: 281–293.
    • Zeng, Y. Chen, J. Remis, M. S. Shekhar, J. C. Phillips, E. Tajkhorshid, and H. Jin (2017) Structural Basis of Co-translational Quality Control by ArfA and RF2 Binding to Ribosome. Nature, in press.
  • 2016
    • Abraham, S. J.; Chavan, T.; Cheng, R. C.; Fenollar-Ferrer, C.; Han, W.; Islam, S. M.; Jiang, T.; Khantwal, C. M.; Mathews, I. I.; Stein, R. A.; Roux, B.; Forrest, L. R.; Mchaourab, H. S.; Tajkhorshid, E.; Maduke, M., An Outward-Facing Open Conformational State in a CLC Transporter. Biophysical Journal 2016, 110, (3), 178a-178a.
    • Barati-Farimani, A.; Tajkhorshid, E.; Aluru, N.; Jakobsson, E., Behavior of Water in 3-D Confinement: Implications for Macromolecular Function. Biophysical Journal 2016, 110, (3), 341a-341a.
    • Baylon, J. L.; Vermaas, J. V.; Muller, M. P.; Arcario, M. J.; Pogorelov, T. V.; Tajkhorshid, E., Atomic-Level Description of Protein-Lipid Interactions using an Accelerated Membrane Model. Biochimica Et Biophysica Acta-Biomembranes 2016, 1858, (7), 1573-1583, DOI:10.1016/j.bbamem.2016.02.027.
    • Fanning, S. W.; Mayne, C. G.; Dharmarjan, V.; Carlson, K. E.; Martin, T. A.; Novick, S. J.; Toy, W.; Green, B.; Panchamukhi, S.; Katzenellenbogen, B. S.; Tajkhorshid, E.; Griffin, P. R.; Shen, Y.; Chandalapaty, S.; Katzenellenbogen, J. A.; Greene, G. L., Estrogen Receptor Alpha Somatic Mutations Y537s and D538g Confer Breast Cancer Endocrine Resistance by Stabilizing the Activating Function-2 Binding Conformation. Elife 2016, 5, DOI:ARTN e12792 10.7554/eLife.12792.
    • Farimani, A. B.; Aluru, N. R.; Tajkhorshid, E.; Jakobsson, E., Computational Approach to Designing Antibody for Ebola Virus. Biophysical Journal 2016, 110, (3), 537a-537a.
    • Hosseinzadeh, P.; Mirts, E. N.; Pfister, T. D.; Gao, Y. G.; Mayne, C.; Robinson, H.; Tajkhorshid, E.; Lu, Y., Enhancing Mn(II)-Binding and Manganese Peroxidase Activity in a Designed Cytochrome C Peroxidase through Fine-Tuning Secondary-Sphere Interactions. Biochemistry 2016, 55, (10), 1494-1502, DOI:10.1021/acs.biochem.5b01299.
    • Jiang, T.; Han, W.; Maduke, M.; Tajkhorshid, E., Molecular Basis for Differential Anion Binding and Proton Coupling in the CI-/H+ Exchanger CIC-Ec1. Journal of the American Chemical Society 2016, 138, (9), 3066-3075, DOI:10.1021/jacs.5b12062.
    • Jiang, T.; Thangapandian, S.; Tajkhorshid, E., Functional Characterization of Calcium-Activated Phospholipid Scramblase Activity of Nhtmem16. Biophysical Journal 2016, 110, (3), 179a-180a.
    • Khantwal, C. M.; Abraham, S. J.; Han, W.; Jiang, T.; Chavan, T. S.; Cheng, R. C.; Elvington, S. M.; Liu, C. W.; Mathews, I. I.; Steins, R. A.; Mchaourab, H. S.; Tajkhorshid, E.; Maduke, M., Revealing an Outward-Facing Open Conformational State in a CLC Cl-/H+ Exchange Transporter. Elife 2016, 5, DOI:ARTN e11189 10.7554/eLife.11189.
    • Mahinthichaichan, P.; Gennis, R. B.; Tajkhorshid, E., All the O-2 Consumed by Thermus Thermophilus Cytochrome Ba(3) is Delivered to the Active Site through a Long, Open Hydrophobic Tunnel with Entrances within the Lipid Bilayer. Biochemistry 2016, 55, (8), 1265-1278.
    • Mahinthichaichan, P.; Gennis, R. B.; Tajkhorshid, E., Characterizations of Substrate Delivery Pathways in the Nitric Oxide Reductase. Biophysical Journal 2016, 110, (3), 314a-314a. Muller, M. P.; Tajkhorshid, E., Molecular Basis for Lipid Specificity of the Coagulation Factor X Membrane-Binding Domain. Biophysical Journal 2016, 110, (3), 424a-424a.
    • Shekhar, M.; Baylon, J.; Tajkhorshid, E., Structural Determinants of the IF-OF Transition in Human Glucose Transporter GLUT1. Biophysical Journal 2016, 110, (3), 245a-245a.
    • Skeby, K. K.; Andersen, O. J.; Pogorelov, T. V.; Tajkhorshid, E.; Schiott, B., Conformational Dynamics of the Human Islet Amyloid Polypeptide in a Membrane Environment: Toward the Aggregation Prone Form. Biochemistry 2016, 55, (13), 2031-2042, DOI:10.1021/acs.biochem.5b00507.
    • Speltz, T. E.; Fanning, S. W.; Mayne, C. G.; Fowler, C.; Tajkhorshid, E.; Greene, G. L.; Moore, T. W., Stapled Peptides with -Methylated Hydrocarbon Chains for the Estrogen Receptor/Coactivator Interaction. Angewandte Chemie-International Edition 2016, 55, (13), 4252-4255, DOI:10.1002/anie.201510557.
    • Trebesch, N.; Vermaas, J. V.; Tajkhorshid, E., A Molecular Dynamics Based Model of the Outward-Facing State and Transport Mechanism of the Human NaCT Homolog Vcindy. Biophysical Journal 2016, 110, (3), 627a-628a.
    • Vermaas, J. V.; Tajkhorshid, E., Electrostatic Lock Controlling Structural Transition in the EmrE Polyaromatic Cation Transporter. Biophysical Journal 2016, 110, (3), 628a-628a.
    • Wang, Y. H.; Singharoy, A.; Schulten, K.; Tajkhorshid, E., Allosteric Regulation Mechanism of Trimeric Membrane. Biophysical Journal 2016, 110, (3), 383a-383a.
    • West, D. C.; Hosfield, D. J.; Mayne, C. G.; Skor, M. N.; Styke, S. C.; Pierce, C. F.; Kocherginsky, M.; Hunt, H.; Fleming, G. F.; Szmulewitz, R. Z.; Tajkhorshid, E.; Greene, G. L.; Conzen, S. D., Second-Generation Selective Glucocorticoid Receptor Modulators in Triple Negative Breast Cancer. Cancer Research 2016, 76, DOI:10.1158/1538-7445.Sabcs15-Pd3-02.
    • A. Singharoy, A. Barragan, S. Thangapandian, E. Tajkhorshid, and K. Schulten, Binding Site Recognition and Docking Dynamics of a Single Electron Transport Protein: Cytochrome c2. JACS, 2016, 138: 12077-12089.
    • W. R. Arnold, J. L. Baylon, E. Tajkhorshid, and A. Das, Asymmetric binding and metabolism of polyunsaturated fatty acids (PUFAs) by CYP2J2 epoxygenase. Biochemistry, 2016, 55: 6969–6980.
  • 2015
    • Vermaas, J. V.; Taguchi, A. T.; Dikanov, S. A.; Wraight, C. A.; Tajkhorshid, E., Redox Potential Tuning through Differential Quinone Binding in the Photosynthetic Reaction Center of Rhodobacter Sphaeroides. Biochemistry 2015, 54, (12), 2104-2116, DOI: 10.1021/ACS.biochem.5b00033.

    • Denisov, I. G.; Grinkova, Y. V.; Baylon, J. L.; Tajkhorshid, E.; Sligar, S. G., Mechanism of Drug-Drug Interactions Mediated by Human Cytochrome P450 CYP3A4 Monomer. Biochemistry 2015, 54, (13), 2227-2239, DOI:10.1021/ACS.biochem.5b00079.

    • Baylon, J. L.; Tajkhorshid, E., Capturing Spontaneous Membrane Insertion of the Influenza Vvirus Hemagglutinin Fusion Peptide. Journal of Physical Chemistry B 2015, 119, (25), 7882-7893, DOI:10.1021/acs.jpcb.5b02135.
    • Baylon, J. L.; Tietjen, G. T.; Lee, K. Y. C.; Adams, E. J.; Tajkhorshid, E., Molecular Details of the Mechanism of PS Recognition by Tim Proteins. Biophysical Journal 2015, 108, (2), 248a-249a.
    • Li, J.; Newhall, J.; Ishiyama, N.; Gottardi, C.; Ikura, M.; Leckband, D. E.; Tajkhorshid, E., Structural Determinants of the Mechanical Stability of Alpha-Catenin. Journal of Biological Chemistry 2015, 290, (31), 18890-18903, DOI:10.1074/jbc.M115.647941.
    • Li, J.; Wen, P. C.; Moradi, M.; Tajkhorshid, E., Computational Characterization of Structural Dynamics Underlying Function in Active Membrane Transporters. Current Opinion in Structural Biology 2015, 31, 96-105, DOI:10.1016/j.sbi.2015.04.001.
    • Madsen, J. J.; Ohkubo, Y. Z.; Peters, G. H.; Faber, J. H.; Tajkhorshid, E.; Olsen, O. H., Membrane Interaction of the Factor VIIIa Discoidin Domains in Atomistic Detail. Biochemistry 2015, 54, (39), 6123-6131, DOI:10.1021/acs.biochem.5b00417.
    • McDougle, D. R.; Baylon, J. L.; Meling, D. D.; Kambalyal, A.; Grinkova, Y. V.; Hammernik, J.; Tajkhorshid, E.; Das, A., Incorporation of Charged Residues in the Cyp2j2 F-G Loop Disrupts Cyp2j2-Lipid Bilayer Interactions. Biochimica Et Biophysica Acta-Biomembranes 2015, 1848, (10), 2460-2470, DOI:10.1016/j.bbamem.2015.07.015.
    • Moradi, M.; Enkavi, G.; Tajkhorshid, E., Atomic-Level Characterization of Transport Cycle Thermodynamics in the Glycerol-3-Phosphate: Phosphate Antiporter. Nature Communications 2015, 6, DOI:ARTN 8393 10.1038/ncomms9393.
    • Moradi, M.; Enkavi, G.; Tajkhorshid, E., Towards Thermodynamic Characterization of Transport Cycle in Secondary Transporters using Enhanced Sampling Techniques. Biophysical Journal 2015, 108, (2), 144a-144a.
    • Qi, Y. F.; Cheng, X.; Lee, J.; Vermaas, J. V.; Pogorelov, T. V.; Tajkhorshid, E.; Park, S.; Klauda, J. B.; Im, W., Charmm-Gui HMMM Builder for Membrane Simulations with the Highly Mobile Membrane-Mimetic Model. Biophysical Journal 2015, 109, (10), 2012-2022, DOI:10.1016/j.bpj.2015.10.008.
    • Tajkhorshid, E., Visualizing Functional Motions of Membrane Transporters at an Atomic Resolution. FASEB Journal 2015, 29.
    • Tajkhorshid, E.; Moradi, M.; Li, J.; Wen, P. C.; Thangapandian, S.; Vermaas, J., Advances in Atomic-Level Simulations of Large-Scale Functional Motions of Membrane Transporters. Biophysical Journal 2015, 108, (2), 371a-371a.
    • Vermaas, J. V.; Baylon, J. L.; Arcario, M. J.; Muller, M. P.; Wu, Z.; Pogorelov, T. V.; Tajkhorshid, E., Efficient Exploration of Membrane-Associated Phenomena at Atomic Resolution. Journal of Membrane Biology 2015, 248, (3), 563-582, DOI:10.1007/s00232-015-9806-9.
    • Vermaas, J. V.; Tajkhorshid, E., Strength, Not Depth: An Exploration of Differential Membrane Binding Kinetics of Synaptotagmin-1 and Synaptotagmin-7 C2 Domains. Biophysical Journal 2015, 108, (2), 555a-555a.
  • 2014
    • Han, W.; Cheng, R. C.; Maduke, M. C.; Tajkhorshid, E., Water Access Points and Hydration Pathways in CLC H+/Cl- Transporters. Proceedings of the National Academy of Sciences of the United States of America 2014, 111, (5), 1819-1824, DOI: 10.1073/pnas.1317890111.

    • Hulse, R. E.; Sachleben, J. R.; Wen, P. C.; Moradi, M.; Tajkhorshid, E.; Perozo, E., Conformational Dynamics at the Inner Gate of KcsA During Activation. Biochemistry 2014, 53, (16), 2557-2559, DOI: 10.1021/bi500168u.

    • Mishra, S.; Verhalen, B.; Stein, R. A.; Wen, P. C.; Tajkhorshid, E.; McHaourab, H. S., Conformational Dynamics of the Nucleotide Binding Domains and the Power Stroke of a Heterodimeric ABC Transporter. Elife 2014, 3, DOI: 10.7554/eLife.02272.

    • Pogorelov, T. V.; Vermaas, J. V.; Arcario, M. J.; Tajkhorshid, E., Partitioning of Amino Acids into a Model Membrane: Capturing the Interface. Journal of Physical Chemistry B 2014, 118, (6), 1481-1492, DOI: 10.1021/jp4089113.

    • Vermaas, J. V.; Tajkhorshid, E., A Microscopic View of Phospholipid Insertion into Biological Membranes. Journal of Physical Chemistry B 2014, 118, (7), 1754-1764, DOI: 10.1021/jp409854w.

    • Vermaas, J. V.; Tajkhorshid, E., Conformational Heterogeneity of Alpha-Synuclein in Membrane. Biochimica Et Biophysica Acta-Biomembranes 2014, 1838, (12), 3107-3117, DOI: 10.1016/j.bbamem.2014.08.012.

    • Smith, S. N.; Wang, Y. H.; Baylon, J. L.; Singh, N. K.; Baker, B. M.; Tajkhorshid, E.; Kranz, D. M., Changing the Peptide Specificity of a Human T-Cell Receptor by Directed Evolution. Nature Communications 2014, 5, DOI:Artn 5223 DOI:10.1038/Ncomms6223.

    • Moradi, M.; Tajkhorshid, E., Computational Recipe for Efficient Description of Large-Scale Conformational Changes in Biomolecular Systems. Journal of Chemical Theory and Computation 2014, 10, (7), 2866-2880, DOI: 10.1021/Ct5002285.

    • Farimani, A. B.; Aluru, N. R.; Tajkhorshid, E., Thermodynamic Insight into Spontaneous Hydration and Rapid Water Permeation in Aquaporins. Applied Physics Letters 2014, 105, (8), DOI:Artn 083702 DOI:10.1063/1.4893782.

    • Blanchard, A. E.; Arcario, M. J.; Schulten, K.; Tajkhorshid, E., A Highly Tilted Membrane Configuration for the Prefusion State of Synaptobrevin. Biophysical Journal 2014, 107, (9), 2112-2121, DOI: 10.1016/j.bpj.2014.09.013.

    • Arcario, M. J.; Tajkhorshid, E., Membrane-Induced Structural Rearrangement and Identification of a Novel Membrane Anchor in Talin F2F3. Biophysical Journal 2014, 107, (9), 2059-2069, DOI: 10.1016/j.bpj.2014.09.022.

    • Arcario, M. J.; Mayne, C. G.; Tajkhorshid, E., Atomistic Models of General Anesthetics for Use in in Silico Biological Studies. Journal of Physical Chemistry B 2014, 118, (42), 12075-12086, DOI: 10.1021/Jp502716m.

    • Ahn, Y. O.; Mahinthichaichan, P.; Lee, H. J.; Ouyang, H. L.; Kaluka, D.; Yeh, S. R.; Arjona, D.; Rousseau, D. L.; Tajkhorshid, E.; Adelroth, P.; Gennis, R. B., Conformational Coupling between the Active Site and Residues within the K-C-Channel of the Vibrio Cholerae CBB(3)-Type (C-Family) Oxygen Reductase. Proceedings of the National Academy of Sciences of the United States of America 2014, 111, (42), E4419-E4428, DOI: 10.1073/pnas.1411676111.

  • 2013
    • Baylon, J. L.; Lenov, I. L.; Sligar, S. G.; Tajkhorshid, E., Characterizing the Membrane-Bound State of Cytochrome P450 3A4: Structure, Depth of Insertion, and Orientation. Journal of the American Chemical Society 2013, 135, (23), 8542-8551, DOI: 10.1021/ja4003525.

    • Eriksson, U. K.; Fischer, G.; Friemann, R.; Enkavi, G.; Tajkhorshid, E.; Neutze, R., Subangstrom Resolution X-Ray Structure Details Aquaporin-Water Interactions. Science 2013, 340, (6138), 1346-1349, DOI: 10.1126/science.1234306.

    • Geyer, R. R.; Musa-Aziz, R.; Enkavi, G.; Mahinthichaichan, P.; Tajkhorshid, E.; Boron, W. F., Movement of NH3 through the Human Urea Transporter B: A New Gas Channel. American Journal of Physiology-Renal Physiology 2013, 304, (12), F1447-F1457, DOI: 10.1152/ajprenal.00609.2012.

    • Kalani, M. R.; Moradi, A.; Moradi, M.; Tajkhorshid, E., Characterizing a Histidine Switch Controlling Ph-Dependent Conformational Changes of the Influenza Virus Hemagglutinin. Biophysical Journal 2013, 105, (4), 993-1003, DOI: 10.1016/j.bpj.2013.06.047.

    • Li, J.; Shaikh, S. A.; Enkavi, G.; Wen, P. C.; Huang, Z. J.; Tajkhorshid, E., Transient Formation of Water-Conducting States in Membrane Transporters. Proceedings of the National Academy of Sciences of the United States of America 2013, 110, (19), 7696-7701, DOI: 10.1073/pnas.1218986110.

    • Mayne, C. G.; Saam, J.; Schulten, K.; Tajkhorshid, E.; Gumbart, J. C., Rapid Parameterization of Small Molecules Using the Force Field Toolkit. Journal of Computational Chemistry 2013, 34, (32), 2757-2770, DOI: 10.1002/jcc.23422.

    • Moradi, M.; Tajkhorshid, E., Driven Metadynamics: Reconstructing Equilibrium Free Energies from Driven Adaptive-Bias Simulations. Journal of Physical Chemistry Letters 2013, 4, (11), 1882-1887, DOI: 10.1021/jz400816x.

    • Moradi, M.; Tajkhorshid, E., Mechanistic Picture for Conformational Transition of a Membrane Transporter at Atomic Resolution. Proceedings of the National Academy of Sciences of the United States of America 2013, 110, (47), 18916-18921, DOI: 10.1073/pnas.1313202110.

    • Shaikh, S. A.; Li, J.; Enkavi, G.; Wen, P. C.; Huang, Z. J.; Tajkhorshid, E., Visualizing Functional Motions of Membrane Transporters with Molecular Dynamics Simulations. Biochemistry 2013, 52, (4), 569-587.

    • Wen, P. C.; Verhalen, B.; Wilkens, S.; McHaourab, H. S.; Tajkhorshid, E., On the Origin of Large Flexibility of P-Glycoprotein in the Inward-Facing State. Journal of Biological Chemistry 2013, 288, (26), 19211-19220, DOI: 10.1074/jbc.M113.450114.

  • 2012
    • Barnard, T. J.; Gumbart, J.; Peterson, J. H.; Noinaj, N.; Easley, N. C.; Dautin, N.; Kuszak, A. J.; Tajkhorshid, E.; Bernstein, H. D.; Buchanan, S. K., Molecular Basis for the Activation of a Catalytic Asparagine Residue in a Self-Cleaving Bacterial Autotransporter. Journal of Molecular Biology 2012, 415, (1), 128-142.

    • Khalili-Araghi, F.; Tajkhorshid, E.; Roux, B.; Schulten, K., Molecular Dynamics Investigation of the Omega-Current in the Kv1.2 Voltage Sensor Domains. Biophysical Journal 2012, 102, (2), 258-267.

    • Li, J.; Tajkhorshid, E., A Gate-Free Pathway for Substrate Release from the Inward-Facing State of the Na+-galactose Transporter. Biochimica Et Biophysica Acta-Biomembranes 2012, 1818, (2), 263-271.

    • Morrissey, J. H.; Tajkhorshid, E.; Sligar, S. G.; Rienstra, C. M., Tissue Factor/Factor VIIa Complex: Role of the Membrane Surface. Thrombosis Research 2012, 129, S8-S10.

    • Musgaard, M.; Thogersen, L.; Schiott, B.; Tajkhorshid, E., Tracing Cytoplasmic Ca2+ Ion and Water Access Points in the Ca2+-ATPase. Biophysical Journal 2012, 102, (2), 268-277.

    • Noinaj, N.; Easley, N. C.; Oke, M.; Mizuno, N.; Gumbart, J.; Boura, E.; Steere, A. N.; Zak, O.; Aisen, P.; Tajkhorshid, E.; Evans, R. W.; Gorringe, A. R.; Mason, A. B.; Steven, A. C.; Buchanan, S. K., Structural Basis for Iron Piracy by Pathogenic Neisseria. Nature 2012, 483, (7387), 53-U92

    • Ohkubo, Y. Z.; Pogorelov, T. V.; Arcario, M. J.; Christensen, G. A.; Tajkhorshid, E., Accelerating Membrane Insertion of Peripheral Proteins with a Novel Membrane Mimetic Model. Biophysical Journal 2012, 102, (9), 2130-2139.

    • Levin, E. J.; Cao, Y.; Enkavi, G.; Quick, M.; Pan, Y. P.; Tajkhorshid, E.; Zhou, M., Structure and Permeation Mechanism of a Mammalian Urea Transporter. Proceedings of the National Academy of Sciences of the United States of America 2012, 109, (28), 11194-11199.

  • 2011
    • Arcario, M. J.; Tajkhorshid, E., Dynamic Characterization of the Membrane-Mediated Activation of Integrin by Talin at Atomic Resolution. Blood 2011, 118, (21), 956-956.

    • Ohkubo, Y. Z.; Tajkhorshid, E., A Dynamical, Atomic-Detailed View of Complex Formation between Factor VIIa, Tissue Factor, and Factor X on the Surface of the Membrane. Journal of Thrombosis and Haemostasis 2011, 9, 30-30.

    • Tajkhorshid, E.; Ohkubo, Y. Z., Capturing Membrane Binding of Coagulation Factors at Atomic Resolution Using a Novel Membrane Mimetic Model. Journal of Thrombosis and Haemostasis 2011, 9, 114-114.

    • Tavoosi, N.; Davis-Harrison, R. L.; Pogorelov, T. V.; Ohkubo, Y. Z.; Arcario, M. J.; Clay, M. C.; Rienstra, C. M.; Tajkhorshid, E.; Morrissey, J. H., Molecular Determinants of Phospholipid Synergy in Blood Clotting. Journal of Biological Chemistry 2011, 286, (26), 23247-23253.

    • Wen, P. C.; Tajkhorshid, E., Conformational Coupling of the Nucleotide-Binding and the Transmembrane Domains in ABC Transporters. Biophysical Journal 2011, 101, (3), 680-690.

    • Morrissey, J. H.; Tajkhorshid, E.; Rienstra, C. M., Nanoscale Studies of Protein-Membrane Interactions in Blood Clotting. Journal of Thrombosis and Haemostasis 2011, 9, 162-167.

    • Boettcher, J. M.; Davis-Harrison, R. L.; Clay, M. C.; Nieuwkoop, A. J.; Ohkubo, Y. Z.; Tajkhorshid, E.; Morrissey, J. H.; Rienstra, C. M., Atomic View of Calcium-Induced Clustering of Phosphatidylserine in Mixed Lipid Bilayers. Biochemistry 2011, 50, (12), 2264-2273. 

    • Arcario, M. J.; Ohkubo, Y. Z.; Tajkhorshid, E., Capturing Spontaneous Partitioning of Peripheral Proteins Using a Biphasic Membrane-Mimetic Model. Journal of Physical Chemistry B 2011, 115, (21), 7029-7037. 

  • 2010
    • Arcario, M. J.; Tajkhorshid, E., Characterizing Membrane Bound Forms of Coagulation Factors at Atomic Resolution Exploring Differences In Membrane Affinity. Blood 2010, 116, (21), 493-493. 

    • Morrissey, J. H.; Davis-Harrison, R. L.; Tavoosi, N.; Ke, K.; Pureza, V.; Boettcher, J. M.; Clay, M. C.; Rienstra, C. M.; Ohkubo, Y. Z.; Pogorelov, T. V.; Tajkhorshid, E., Protein-Phospholipid interactions in blood clotting. Thrombosis Research 2010, 125, S23-S25.

    • Ohkubo, Y. Z.; Morrissey, J. H.; Tajkhorshid, E., Dynamical view of membrane binding and complex formation of human factor VIIa and tissue factor. Journal of Thrombosis and Haemostasis 2010, 8, (5), 1044-1053.

    • Wang, Y.; Shaikh, S. A.; Tajkhorshid, E., Exploring transmembrane diffusion pathways with molecular dynamics. Physiology 2010, 25, 142-145.

    • Wang, Y.; Tajkhorshid, E., Nitric oxide conduction by the brain aquaporin AQP4. Proteins-Structure Function and Bioinformatics 2010, 78, (3), 661-670.

    • Yang, X. D.; Tajkhorshid, E.; Chen, L. F., Functional Interplay between Acetylation and Methylation of the RelA Subunit of NF-kappa B. Molecular and Cellular Biology 2010, 30, (9), 2170-2180.

    • Diao, J. K.; Maniotis, A. J.; Folberg, R.; Tajkhorshid, E., Interplay of mechanical and binding properties of Fibronectin type I. Theoretical Chemistry Accounts 2010, 125, (3-6), 397-405.

    • Enkavi, G.; Tajkhorshid, E., Simulation of Spontaneous Substrate Binding Revealing the Binding Pathway and Mechanism and Initial Conformational Response of GlpT. Biochemistry 2010, 49, (6), 1105-1114.

    • Feng, J. H.; Lucchinetti, E.; Enkavi, G.; Wang, Y.; Gehrig, P.; Roschitzki, B.; Schaub, M. C.; Tajkhorshid, E.; Zaugg, K.; Zaugg, M., Tyrosine phosphorylation by Src within the cavity of the adenine nucleotide translocase 1 regulates ADP/ATP exchange in mitochondria. American Journal of Physiology-Cell Physiology 2010, 298, (3), C740-C748.

    • Khalili-Araghi, F.; Jogini, V.; Yarov-Yarovoy, V.; Tajkhorshid, E.; Roux, B.; Schulten, K., Calculation of the Gating Charge for the Kv1.2 Voltage-Activated Potassium Channel. Biophysical Journal 2010, 98, (10), 2189-2198.

    • Huang, Z. J.; Tajkhorshid, E., Identification of the Third Na+ Site and the Sequence of Extracellular Binding Events in the Glutamate Transporter. Biophysical Journal 2010, 99, (5), 1416-1425.

    • Kokhan, O.; Wraight, C. A.; Tajkhorshid, E., The Binding Interface of Cytochrome c and Cytochrome c(1) in the bc(1) Complex: Rationalizing the Role of Key Residues. Biophysical Journal 2010, 99, (8), 2647-2656.

    • Shaikh, S. A.; Tajkhorshid, E., Modeling and Dynamics of the Inward-Facing State of a Na+/Cl- Dependent Neurotransmitter Transporter Homologue. PLOS Computational Biology 2010, 6, (8). 

    • Shaikh, S. A.; Wen, P. C.; Enkavi, G.; Huang, Z. J.; Tajkhorshid, E., Capturing Functional Motions of Membrane Channels and Transporters with Molecular Dynamics Simulation. Journal of Computational and Theoretical Nanoscience 2010, 7, (12), 2481-2500. 

  • 2009
    • Law, C. J.; Enkavi, G.; Wang, D. N.; Tajkhorshid, E., Structural Basis of Substrate Selectivity in the Glycerol-3-Phosphate: Phosphate Antiporter GlpT. Biophysical Journal 2009, 97, (5), 1346-1353.

    • Li, J.; Tajkhorshid, E., Ion-Releasing State of a Secondary Membrane Transporter. Biophysical Journal 2009, 97, (11), L29-L31.

    • Khalili-Araghi, F.; Gumbart, J.; Wen, P. C.; Sotomayor, M.; Tajkhorshid, E.; Schulten, K., Molecular dynamics simulations of membrane channels and transporters. Current Opinion in Structural Biology 2009, 19, (2), 128-137.

    • Bertelsen, K.; Paaske, B.; Thogersen, L.; Tajkhorshid, E.; Schiott, B.; Skrydstrup, T.; Nielsen, N. C.; Vosegaard, T., Residue-Specific Information about the Dynamics of Antimicrobial Peptides from H-1-N-15 and H-2 Solid-State NMR Spectroscopy. Journal of the American Chemical Society 2009, 131, (51), 18335-18342.

    • Gumbart, J.; Wiener, M. C.; Tajkhorshid, E., Coupling of Calcium and Substrate Binding through Loop Alignment in the Outer-Membrane Transporter BtuB. Journal of Molecular Biology 2009, 393, (5), 1129-1142.

    • Morrissey, J. H.; Pureza, V.; Davis-Harrison, R. L.; Sligar, S. G.; Rienstra, C. M.; Kijac, A. Z.; Ohkubo, Y. Z.; Tajkhorshid, E., Protein-membrane interactions: blood clotting on nanoscale bilayers. Journal of Thrombosis and Haemostasis 2009, 7, 169-172.

    • Nyblom, M.; Frick, A.; Wang, Y.; Ekvall, M.; Hallgren, K.; Hedfalk, K.; Neutze, R.; Tajkhorshid, E.; Tornroth-Horsefield, S., Structural and Functional Analysis of SoPIP2;1 Mutants Adds Insight into Plant Aquaporin Gating. Journal of Molecular Biology 2009, 387, (3), 653-668.

    • Dittmer, J.; Thogersen, L.; Underhaug, J.; Bertelsen, K.; Vosegaard, T.; Pedersen, J. M.; Schiott, B.; Tajkhorshid, E.; Skrydstrup, T.; Nielsen, N. C., Incorporation of Antimicrobial Peptides into Membranes: A Combined Liquid-State NMR and Molecular Dynamics Study of Alamethicin in DMPC/DHPC Bicelles. Journal of Physical Chemistry B 2009, 113, (19), 6928-6937.

    • Hardy, D. J.; Stone, J. E.; Schulten, K., Multilevel summation of electrostatic potentials using graphics processing units. Parallel Computing 2009, 35, (3), 164-177.

    • Hayashi, S.; Tajkhorshid, E.; Schulten, K., Photochemical Reaction Dynamics of the Primary Event of Vision Studied by Means of a Hybrid Molecular Simulation. Biophysical Journal 2009, 96, (2), 403-416.

  • 2008
    • Isin, B.; Schulten, K.; Tajkhorshid, E.; Bahar, I., Mechanism of signal propagation upon retinal isomerization: Insights from molecular dynamics simulations of rhodopsin restrained by normal modes. Biophysical Journal 2008, 95, (2), 789-803.

    • Huang, Z. J.; Tajkhorshid, E., Dynamics of the extracellular gate and ion-substrate coupling in the glutamate transporter. Biophysical Journal 2008, 95, (5), 2292-2300.

    • Shaikh, S. A.; Tajkhorshid, E., Potential Cation and H+ Binding Sites in Acid Sensing Ion Channel-1. Biophysical Journal 2008, 95, (11), 5153-5164.

    • Thogersen, L.; Schiott, B.; Vosegaard, T.; Nielsen, N. C.; Tajkhorshid, E., Peptide Aggregation and Pore Formation in a Lipid Bilayer: A Combined Coarse-Grained and All Atom Molecular Dynamics Study. Biophysical Journal 2008, 95, (9), 4337-4347.

    • Wang, Y.; Ohkubo, Y. Z.; Tajkhorshid, E., Gas conduction of lipid bilayers and membrane channels. In Computational Modeling of Membrane Bilayers, Elsevier Academic Press Inc: San Diego, 2008; Vol. 60, pp 343-367.

    • Wang, Y.; Tajkhorshid, E., Electrostatic funneling of substrate in mitochondrial inner membrane carriers. Proceedings of the National Academy of Sciences of the United States of America 2008, 105, (28), 9598-9603.

    • Wen, P. C.; Tajkhorshid, E., Dimer Opening of the Nucleotide Binding Domains of ABC Transporters after ATP Hydrolysis. Biophysical Journal 2008, 95, (11), 5100-5110.

    • Morrissey, J. H.; Pureza, V.; Davis-Harrison, R. L.; Sligar, S. G.; Ohkubo, Y. Z.; Tajkhorshid, E., Blood clotting reactions on nanoscale phospholipid bilayers. Thrombosis Research 2008, 122, S23-S26.

    • Celik, L.; Schiott, B.; Tajkhorshid, E., Substrate binding and formation of an occluded state in the leucine transporter. Biophysical Journal 2008, 94, (5), 1600-1612.

    • Henin, J.; Tajkhorshid, E.; Schulten, K.; Chipot, C., Diffusion of glycerol through Escherichia coli aquaglyceroporin GlpF. Biophysical Journal 2008, 94, (3), 832-839.

    • Ohkubo, Y. Z.; Tajkhorshid, E., Distinct structural and adhesive roles of Ca2+ in membrane binding of blood coagulation factors. Structure 2008, 16, (1), 72-81.

    • Vosegaard, T.; Bertelsen, K.; Pedersen, J. M.; Thogersen, L.; Schiott, B.; Tajkhorshid, E.; Skrydstrup, T.; Nielsen, N. C., Resolution enhancement in solid-state NMR of oriented membrane proteins by anisotropic differential linebroadening. Journal of the American Chemical Society 2008, 130, (15), 5028-5029.

    • Diao, J.; Tajkhorshid, E., Indirect role of Ca2+ in the assembly of extracellular matrix proteins. Biophysical Journal 2008, 95, (1), 120-127.

  • 2007
    • Wang, Y.; Tajkhorshid, E., Molecular mechanisms of conduction and selectivity in aquaporin water channels. Journal of Nutrition 2007, 137, (6), 1509S-1515S.

    • Yin, Y.; Jensen, M.; Tajkhorshid, E.; Schulten, K., Sugar transport across lactose permease probed by molecular dynamics simulations. Biophysical Journal 2007, 64A-64A.

    • Tornroth-Horsefield, S.; Hedfalk, K.; Karlsson, M.; Johanson, U.; Wang, Y.; Tajkhorshid, E.; Horsefield, R.; Nyblom, M.; Backmark, A.; Kjellbom, P.; Neutze, R., Aquaporin gating. Journal of Biomolecular Structure & Dynamics 2007, 24, (6), 719-721.

    • Jensen, M. O.; Yin, Y.; Tajkhorshid, E.; Schulten, K., Sugar transport across lactose permease probed by steered molecular dynamics. Biophysical Journal 2007, 93, (1), 92-102.

    • Gumbart, J.; Wiener, M. C.; Tajkhorshid, E., Mechanics of force propagation in TonB-dependent outer membrane transport. Biophysical Journal 2007, 93, (2), 496-504.

Press

The Communications Office maintains the information included in Beckman Institute's online directory listings. In order to update your directory listing, please submit the following information to directoryupdates@beckman.illinois.edu:

  • a short bio including information on your educational background and your field
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