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Publications by SHARCNET researchers

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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