Emad Tajkhorshid

Description

Address

  • 3009 Beckman Institute
  • 405 North Mathews Avenue
  • Urbana, Illinois 61801

Honors

Innovative and Novel Computational Impact on Theory and Experiment Award (2015).

Publications

  • 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.
  • 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
  • any honors and awards you may have received
  • a description of your research (approximately 200-400 words)
  • a list of recent representative publications
  • a photo of yourself (you can submit one or we can take one for you)