Publications by SHARCNET researchers

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Title Published SHARCNET Authors Area
541. Molecular mechanics and all-electron fragment molecular orbital calculations on mutated polyglutamine peptides 2010 B.M.B. Van Schouwen, M. Nakano, H. Watanabe, S. Tanaka, H.L. Gordon, and S.M. Rothstein Computational And Theoretical Chemistry
542. a2 Ion Derived from Triglycine: An N1-Protonated 4-Imidazolidinone 2010 Udo H. Verkerk, Chi-Kit Siu, Jeffrey D. Steill, Houssain El Aribi, Junfang Zhao, Christopher F. Rodriquez, Jos Oomens, Alan C. Hopkinson and K. W. Michael Siu Computational Chemistry
543. Optimization of Parameters Used in Algorithms of Ion-Mobility Calculation for Conformational Analyses 2010 Chi-Kit Siu, Yuzhu Guo, Irine S. Saminathan, Alan C. Hopkinson, K. W. Michael Siu Computational Chemistry
544. Verdazyl radicals as redox-active, non-innocent, ligands: contrasting electronic structures as a function of electron-poor and electron-rich ruthenium bis(beta-diketonate) co-ligands 2010 Stephen D.J. McKinnon, Brian O. Patrick, A. B. P. Lever* and Robin G. Hicks* Inorganic Chemistry
545. Electronic Characteristics of an Extensive Series of Ruthenium Complexes with the Non-Innocent o-Benzoquinonediimine Ligand; A Pedagogical Approach 2010 A B P Lever Inorganic Chemistry
546. Job Search, Bargaining, and Wage Dynamics 2010 Shintaro Yamaguchi Economics
547. A homology model of the pore domain of a voltage-gated calcium channel is consistent with available SCAM data 2010 Bruhova I, Zhorov BS Biophysics
548. Gas phase isomerization enthalpies of organic compounds: A semiempirical, density functional theory, and ab initio post-Hartree-Fock theoretical study 2010 S Rayne, K Forest Environmental Modelling and Analysis
549. An efficient string sorting algorithm for weighing matrices of small weight 2010 I. S. Kotsireas, C. Koukouvinos, P. M. Pardalos Computer Algebra
550. Accounting for the Rise in Consumer Bankruptcies 2010 Igor Livshits, James MacGee, Michele Tertilt Computational Macroeconomics
551. Computational Note on a G4MP2 study into the gas phase enthalpies of formation and isomerization for the (CH)2n (n=1 to 6) isomers 2010 S Rayne, K Forest Environmental Modelling and Analysis
552. Hadamard matrices of small order and Yang conjecture 2010 D.Z. Djokovic Hadamard Matrices
553. “Spectrally-Accurate Algorithm for Moving Boundary Problems for the Navier-Stokes Equations” 2010 S.Z.Husain and J.M.Floryan Fluid Mechanics
554. “Travelling Wave Instability in a Diverging-Converging Channel” 2010 J.M.Floryan and C.Floryan Fluid Mechanics
555. Job Allocation Strategies for Multiple High Performance Computing Clusters 2010 J. Qin and M. Bauer Distributed Systems
556. Docking flexible ligands in proteins with a solvent exposure- and distance-dependent dielectric function 2010 DP Garden and BS Zhorov Biophysics
557. Structural modeling of calcium binding in the selectivity filter of the L-type calcium channel 2010 Cheng RC, Tikhonov DB, Zhorov BS Biophysics
558. Simultaneous Use of Temperature and Concentration Gradients to Control Polymer Solution Morphology Development during Thermal-Induced Phase Separation 2010 S. Hong and P.K. Chan Soft Matter Physics
559. Compression-Induced Transformation of Aldehydes into Polyethers: A First-Principles Molecular Dynamics Study 2010 N.J. Mosey Computational Chemistry
560. Docking of calcium ions in proteins with flexible side chains and deformable backbones 2010 Cheng RC, Zhorov BS. Biophysics