Title 
Published 
SHARCNET Authors 
Area 
541.
Molecular mechanics and allelectron 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 N1Protonated 4Imidazolidinone

2010 
Udo H. Verkerk, ChiKit 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 IonMobility Calculation for Conformational Analyses

2010 
ChiKit Siu, Yuzhu Guo, Irine S. Saminathan, Alan C. Hopkinson, K. W. Michael Siu

Computational Chemistry

544.
Verdazyl radicals as redoxactive, noninnocent, ligands: contrasting electronic structures as a function of electronpoor and electronrich ruthenium bis(betadiketonate) coligands

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 NonInnocent oBenzoquinonediimine 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 voltagegated 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 postHartreeFock 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.
âSpectrallyAccurate Algorithm for Moving Boundary Problems for the NavierStokes Equationsâ

2010 
S.Z.Husain and J.M.Floryan

Fluid Mechanics

554.
âTravelling Wave Instability in a DivergingConverging Channelâ

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 distancedependent dielectric function

2010 
DP Garden and BS Zhorov

Biophysics

557.
Structural modeling of calcium binding in the selectivity filter of the Ltype 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 ThermalInduced Phase Separation

2010 
S. Hong and P.K. Chan

Soft Matter Physics

559.
CompressionInduced Transformation of Aldehydes into Polyethers: A FirstPrinciples 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
