Shukla RT - Search Results

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Energetics of β-turn formation in a mutant peptide YPGDV from influenza hemagglutinin: an MD simulation study.

Shukla RT, Sasidhar YU. Shukla RT, et al. Phys Chem Chem Phys. 2013 Nov 14;15(42):18571-83. doi: 10.1039/c3cp52166d. Phys Chem Chem Phys. 2013. PMID: 24085383

The role of loop closure propensity in the refolding of Rop protein probed by molecular dynamics simulations.

Shukla RT, Baliga C, Sasidhar YU. Shukla RT, et al. J Mol Graph Model. 2013 Mar;40:10-21. doi: 10.1016/j.jmgm.2012.12.007. Epub 2013 Jan 4. J Mol Graph Model. 2013. PMID: 23340205

Molecular dynamics simulations of certain mutant peptide models from staphylococcal nuclease reveal that initial hydrophobic collapse associated with turn propensity drives β-hairpin folding.

Shukla RT, Kumar N, Sasidhar YU. Shukla RT, et al. J Pept Sci. 2013 Aug;19(8):516-27. doi: 10.1002/psc.2530. Epub 2013 Jun 21. J Pept Sci. 2013. PMID: 23794524

Conformational dynamics of a short antigenic peptide in its free and antibody bound forms gives insight into the role of β-turns in peptide immunogenicity.

Shukla RT, Sasidhar YU. Shukla RT, et al. Proteins. 2015 Jul;83(7):1352-67. doi: 10.1002/prot.24831. Epub 2015 May 29. Proteins. 2015. PMID: 26033223

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