TGQR 2010Q4 Report.pdf - Teragridforum.org

433. H.-C. Siebert, M. Burg-Roderfeld, Th. Eckert, S. Sttzel, U. Kirch, T. Diercks, M. J.
Humphries, M. Frank, R. Wechselberger, E. Tajkhorshid, and S. Oesser. Interaction of the alpha2A domain
of integrin with small collagen fragments. Protein and Cell, In press.
434. P. C. Wen, Z. Huang, G. Enkavi, Y. Wang, J. C. Gumbart and E. Tajkhorshid. Molecular
Mechanisms of active transport across the cellular membrane. In, Editors: Mark S.P. Sansom and Philip C.
Biggin, “Molecular Simulations and Biomembranes: From Biophysics to Function”, Royal Society of
Chemistry. ISBN:978-0-85404-189-3. In Press.
435. S. A. Shaikh and E. Tajkhorshid. Modeling and dynamics of the inward-facing state of a Na + /Cl−
dependent neurotransmitter transporter homologue. PLoS Comput. Biol., In Press.
436. J. C. Gumbart, M. C. Wiener and E. Tajkhorshid. Coupling of calcium and substrate binding
through
loop alignment in the outer membrane transporter BtuB. J. Mol. Biol., 393:1129–1142, 2009.
437. C. J. Law, G. Enkavi, D. N. Wang and E. Tajkhorshid. Structural basis of substrate selectivity in the
glycerol-3-phosphate:phosphate antiporter GlpT. Biophys. J.,97:1346–1353, 2009.
438. J. Li and E. Tajkhorshid. Ion-releasing State of A Secondary Membrane Transporter. Biophys.
J.,97:L29–
L31, 2009. 18. J. Dittmer, L. Thøgersen, J. Underhaug, K. Bertelsen, T. Vosegaard, J. M. Pedersen, B.
Schiøtt, E. Tajkhorshid, T. Skrydstrup and N. C. Nielsen Incorporation of Antimicrobial Peptides into
Membranes: A Combined Liquid-State NMR and Molecular Dynamics Study of Alamethicin in DMPC/DHPC
Bicelles. J. Phys. Chem. B, 113:6928–6937, 2009.
439. K. Bertelsen, B. Paaske, L. Thogersen, E. Tajkhorshid, B. Schiott, T. Skrydstrup, N. Chr. Nielsen,
and Th. Vosegaard Residue-Specific Information about the Dynamics of Antimicrobial Peptides from
1H-15N and 2H Solid-State NMR Spectroscopy. J. Am. Chem. Soc., 131:18335–18342, 2009.
440. J. H. Morrissey, V. Pureza, R. L. Davis-Harrison, S. G. Sligar, C. M. Rienstra, A. Z. Kijac, Y. Z.
Ohkubo, and Emad Tajkhorshid. Proteinmembrane interactions: blood clotting on nanoscale bilayer. J.
Thromb. Haemost., 7 (Suppl. 1):169, 2009
441. P. C. Wen and E. Tajkhorshid. Capturing Large-Scale Conformational Dynamics of P-glycoprotein
by
MD Simulations. Proc. Natl. Acad. Sci. U.S.A., Submitted.
442. J. Li and E. Tajkhorshid. Spontaneous Unbinding of the Substrate in Sodium-Glucose
Transporter.
Biophys. J., Submitted.
443. P. C. Wen and E. Tajkhorshid. Capturing Large-Scale Conformational Dynamics of P-glycoprotein
by
MD Simulations. (Oral presentation) FASEB Summer Research Conference 2010. Snowmass Village,
CO.
444. P. C. Wen and E. Tajkhorshid. The Origin of Nucleotide Dependence of Conformational
Changes
in ABC Transporters. (Selected oral presentation at Permeation & Transport Subgroup meeting)
Biophysical Society 54th Annual Meeting. San Francisco, CA. Biophys. J., 98:627a–628a, 2010.
445. Z. Huang and E. Tajkhorshid. Sequence of Events in the Extracellular Half of the Transport Cycle in
Glutaamte Transporter. Biophysical Society 54th Annual Meeting. San Francisco, CA. Biophys. J.,
98:686a, 2010.