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Insights into the activity and specificity of Trypanosoma cruzi trans-sialidase from molecular dynamics simulations.
Biochemistry. 2013 May 28;52(21):3740-51. doi: 10.1021/bi301112p. Epub 2013 May 14.
Biochemistry. 2013.
PMID: 23672572
Free PMC article.
Carbohydrate-protein recognition probed by density functional theory and ab initio calculations including dispersive interactions.
Raju RK, Ramraj A, Vincent MA, Hillier IH, Burton NA.
Raju RK, et al. Among authors: ramraj a.
Phys Chem Chem Phys. 2008 Nov 21;10(43):6500-8. doi: 10.1039/b809164a. Epub 2008 Sep 23.
Phys Chem Chem Phys. 2008.
PMID: 18979035
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Carbohydrate-aromatic pi interactions: a test of density functionals and the DFT-D method.
Raju RK, Ramraj A, Hillier IH, Vincent MA, Burton NA.
Raju RK, et al. Among authors: ramraj a.
Phys Chem Chem Phys. 2009 May 14;11(18):3411-6. doi: 10.1039/b822877a. Epub 2009 Mar 2.
Phys Chem Chem Phys. 2009.
PMID: 19421542
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Binding of pollutant aromatics on carbon nanotubes and graphite.
Ramraj A, Hillier IH.
Ramraj A, et al.
J Chem Inf Model. 2010 Apr 26;50(4):585-8. doi: 10.1021/ci1000604.
J Chem Inf Model. 2010.
PMID: 20356088
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An evaluation of the GLYCAM06 and MM3 force fields, and the PM3-D* molecular orbital method for modelling prototype carbohydrate-aromatic interactions.
Ramraj A, Raju RK, Wang Q, Hillier IH, Bryce RA, Vincent MA.
Ramraj A, et al.
J Mol Graph Model. 2010 Nov;29(3):321-5. doi: 10.1016/j.jmgm.2010.07.004. Epub 2010 Jul 21.
J Mol Graph Model. 2010.
PMID: 20801066
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