| Title |
Published |
SHARCNET Authors |
Area |
|
681.
Procrustean rotation in concert with principal component analysis of molecular dynamics trajectories: Quantifying global and local differences between conformational samples
|
2009 |
D.G. Oblinsky, B.M.B. VanSchouwen, H.L. Gordon, S.M. Rothstein
|
Computational And Theoretical Chemistry
|
|
682.
NumSBT: A subroutine for calculating spherical Bessel transfoms numerically
|
2009 |
James D. Talman
|
Computational Chemistry
|
|
683.
Spin Glass Transition at Nonzero Temperature in a Disordered Dipolar Ising System: The Case of LiHoxY{1-x}F4
|
2009 |
Ka-Ming Tam, Michel J.P. Gingras
|
Condensed Matter Physics
|
|
684.
Correlating cation coordination, stiffness, phase transition pressures, and smart materials behavior in metal phosphates
|
2009 |
D. Shakhvorostov, M.H. Muser, N.J. Mosey, Y. Song, P.R. Norton
|
Computational Chemistry
|
|
685.
Ab initio LDA+U prediction of the tensile properties of chromia across multiple length scales
|
2009 |
N.J. Mosey, E.A. Carter
|
Computational Chemistry
|
|
686.
Shear strength of chromia across multiple length scales: An LDA+U study
|
2009 |
N.J. Mosey, E.A. Carter
|
Computational Chemistry
|
|
687.
A Computational Experiment of the Endo versus Exo Preference in a Diels-Alder Reaction
|
2009 |
C.N. Rowley, T.K. Woo, N.J. Mosey
|
Computational Chemistry
|
|
688.
Dependence of Mechanochemical Effects on the Locations of Pulling Points
|
2009 |
A., Bailey, N.J., Mosey
|
Computational Chemistry
|
|
689.
Simulation studies of the trace amine, 2PE diffusing through a neuronal membrane
|
2009 |
Nickel, J., Berry, M. D. and Tomberli B
|
Biophysics
|
|
690.
Trace amines and their receptors comprise a novel aminergic signalling system,
|
2009 |
M. D. Berry, J. Nickel and B. Tomberli
|
Biophysics
|
|
691.
Binding free energy and counterion release for adsorption of antimicrobial peptide lactoferricin B on POPG lipid bilayer
|
2009 |
V. Vivcharuk, B. Tomberli, I.S. Tolokh and C.G. Gray
|
Biophysics
|
|
692.
Binding Free Energy and Counterion Release for Adsorption of Antimicrobial Peptide Lactoferricin B on a POPG Membrane in
|
2009 |
I.S.Tolokh, V. Vivcharuk, B. Tomberli and C.G.Gray
|
Biophysics
|
|
693.
Phosphorylation of osteopontin peptides mediates adsorption to and incorporation into calcium oxalate crystals
|
2009 |
J. O'Young, S. Chirico, N. al-Tarhuni, B. Grohe, M. Karttunen, H.A. Goldberg and G.K. Hunter
|
Biomedical Modeling and Simulation
|
|
694.
Molecular dynamics simulations in the presence of lipids on a
|
2009 |
E. Polverini, G. Harauz
|
|
|
695.
Conformational study on a myelin basic protein fragment: molecular dynamics simulations in membrane
|
2009 |
E. Polverini, G. Harauz
|
|
|
696.
"Electrostatic Potential Derived Atomic Charges for Periodic Systems Using a Modified Error Functional: REPEAT Charges"
|
2009 |
Campañá, C.; Mussard, B.; Woo, T.K.
|
Computational Chemistry
|
|
697.
"A Genetic Algorithm and First Principles DFT Study of the High Pressure Molecular Nitrogen"
|
2009 |
Hooper, J.; Hu, A., Zhang, F.; Woo, T.K.
|
Computational Chemistry
|
|
698.
"Solution Conformation of C-Linked Antifreeze Glycoprotein Analogues and Modulation of Ice Recrystallization Inhibition (IRI) Activity"
|
2009 |
Tam, R. Y.; Rowley, C.N.; Petrov, I.; Zhang, T.; Afagh, N.A.; Woo, T.K.; Ben, R.N.
|
Computational Chemistry
|
|
699.
"Solution Conformation of C-Linked Antifreeze Glycoprotein Analogues and Modulation of Ice Recrystallization Inhibition (IRI) Activity"
|
2009 |
Tam, R. Y.; Rowley, C.N.; Petrov, I.; Zhang, T.; Afagh, N.A.; Woo, T.K.; Ben, R.N.
|
Computational Chemistry
|
|
700.
"Molecular Dynamics Simulations of the 13C NMR Lineshapes of CO in Structure I Clathrate Hydrate"
|
2009 |
Mohammadi-Manesh; H. Alavi, S.; Woo, T.K.; Ashrafizaadeh, M.; Najafi, B.
|
Computational Chemistry
|
