| Title |
Published |
SHARCNET Authors |
Area |
|
121.
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
|
|
122.
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
|
|
123.
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
|
|
124.
Molecular dynamics simulations in the presence of lipids on a
|
2009 |
E. Polverini, G. Harauz
|
|
|
125.
Conformational study on a myelin basic protein fragment: molecular dynamics simulations in membrane
|
2009 |
E. Polverini, G. Harauz
|
|
|
126.
"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
|
|
127.
"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
|
|
128.
"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
|
|
129.
"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
|
|
130.
"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
|
|
131.
"Computational Design of Ruthenium Hydride Olefin Hydrogenation Catalysts Containing Hemilabile Ligands"
|
2009 |
Rowley, C.N.; Woo, T.K.
|
Computational Chemistry
|
|
132.
"DFT - Das Future Tool"
|
2009 |
Jacobsen, H.; Woo, T.K.
|
Computational Chemistry
|
|
133.
."Structural Study of Acidic Metallocavitands and Characterization of their Interactions with Lewis Bases"
|
2009 |
Garon, C.; Gorelsky, S.; Sigouin, O.; Woo, T.K.; Fontaine, F.-G
|
Computational Chemistry
|
|
134.
"Molecular Dynamics Simulations of Equilibrium and Transport Properties of Amino Acid Based Room Temperature Ionic Liquids"
|
2009 |
Sirjoosingh, A.; Alavi, S.; Woo, T.K.
|
Computational Chemistry
|
|
135.
"47/49Ti Solid-State NMR Study of Layered Titanium Phosphates at Ultrahigh Magnetic Field"
|
2009 |
Zhu, J.; Trefiak, N.; Woo, T.K.; Huang, Y.
|
Computational Chemistry
|
|
136.
"A Computational Experiment of the Endo vs. Exo Preference in a Dials-Alder Reaction"
|
2009 |
Rowley, C.N.; Mosey, N.J.; Woo, T.K.
|
Computational Chemistry
|
|
137.
"Mechanism of the Rhodium Catalyzed Hydroacylation of Ketones: A Combined Experimental and Theoretical Study"
|
2009 |
Shen, Z.; Dornan, P. K.; Khan, H.A.; Woo, T.K.; Dong, V.M.
|
Computational Chemistry
|
|
138.
A molecular dynamics study of chirality transfer from chiral surfaces to nearby solvent
|
2009 |
S. Wang, N. M. Cann
|
Computational Chemistry
|
|
139.
Rational optimization of the Whelk-O1 chiral stationary phase using molecular dynamics simulations
|
2009 |
C. Zhao, S. Diemert, N. M. Cann
|
Computational Chemistry
|
|
140.
The reaction of the acrylonitrile ion with HCN : Proton-transport catalysis vs formation of ionized pyrimidine
|
2009 |
H.K. Ervasti, K.J. Jobst, P. Gerbaux, P.C. Burgers, P.J.A. Ruttink, J.K. Terlouw
|
Computational Chemistry
|
