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TGQR 2010Q4 Report.pdf - Teragridforum.org

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383. A. Szyperska, J. Rak, J. Leszczynski, X. Li, Y. J. Ko, H. Wang, and K. H. Bowen. Valence Anions<br />

of 9Methylguanine–1-Methylcytosine Complexes. Computational and Photoelectron Spectroscopy Studies.<br />

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384. K. E. Riley, Pitoˇn´Cern´ On the Structure and Geometry of Biomolecularak, J. ˇy, and P. Hobza.<br />

Binding Motifs (Hydrogen-Bonding, Stacking, X—Hπ): WFT and DFT Calculations. J. Chem. Theory<br />

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385. R. M. Balabin. Communications: Is quantum chemical treatment of biopolymers acurate<br />

Intramolecular basis set superposition error (BSSE). J. Chem. Phys., 132:231101–1–4, 2010.<br />

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388. D. C. Mathew and Z. Luthey-Schulten. Inuence of montmorillonite on nucleotide oligomerization<br />

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389. Elijah Roberts, John E Stone, Leonardo Sepulveda, Wen-Mei W Hwu, and Zaida Luthey-Schulten.<br />

Long time-scale simulations of in vivo di usion using GPU hardware. In Proceedings of the 2009 IEEE<br />

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390. Sethi, J. Eargle, A. A. Black, and Z. Luthey-Schulten. Dynamical networks in tRNA:protein<br />

complexes. Proc. Natl. Acad. Sci. U.S.A., 106:6620-6625, Apr 2009.<br />

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392. Bolintineanu, D.S., et al., Poisson-Nernst-Planck Models of Nonequilibrium Ion Electrodiffusion<br />

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393. Sotiropoulos, V., et al., Model Reduction of Multiscale Chemical Langevin Equations: A Numerical<br />

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394. Sotiropoulos, V. and Y.N. Kaznessis, Analytical Derivation of Moment Equations in Stochastic<br />

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395. Sayyed-Ahmad, A. and Y.N. Kaznessis, Determining the orientation of protegrin1 in DLPC bilayers<br />

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396. Ramalingam, K., et al., Forward engineering of synthetic bio-logical AND gates Biochemical<br />

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397. Bolintineanu, D., et al., Antimicrobial mechanism of pore-forming protegrin peptides: 100 pores to<br />

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398. Vivcharuk, V. and Y. Kaznessis, Free energy profile of the interaction between a monomer or a<br />

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399. Vivcharuk, V. and Y.N. Kaznessis, Dimerization of protegrin-1 peptides in different environments.<br />

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400. Biliouris, K., P. Daoutidis, and Y.N. Kaznessis, Stochastic simulations of the tetracycline operon.<br />

BMC Syst Biol, 2010. Submitted.

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