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D
P. Raj Pandey and Roy, S., “Distinctions in early stage unwinding mechanisms of zwitterionic, capped, and neutral forms of different alpha-helical homopolymeric peptides”, Journal of Physical Chemistry B, vol. 116, no. 16, pp. 4731-4740, 2012.
E
P. Raj Pandey and Roy, S., “Early stages of unwinding of zwitterionic alpha-helical homopolymeric peptides”, Chemical Physics Letters, vol. 514, no. 4-6, pp. 330-335, 2011.
S. Sengupta Chowdhury, Pandey, P. Raj, Kumar, R., and Roy, S., “Effect of shape of protrusions and roughness on the hydrophilicity of a surface”, Chemical Physics Letters, vol. 658, pp. 34-39, 2017.
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P. Raj Pandey and Roy, S., “Headgroup mediated water insertion into the DPPC billayer: a molecular dynamics study”, Journal of Physical Chemistry B, vol. 115, no. 12, pp. 3155-3163, 2011.
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P. Raj Pandey and Roy, S., “Is it possible to change wettability of hydrophilic surface by changing its roughness?”, Journal of Physical Chemistry Letters, vol. 4, no. 21, pp. 3692-3697, 2013.
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P. Raj Pandey and Roy, S., “Model atomistic protrusions favouring the ordering and retention of water”, Physical Chemistry Chemical Physics, vol. 16, no. 30, pp. 15856-15865, 2014.
S. Pahari, Choudhury, C. Kumar, Pandey, P. Raj, More, M., Venkatnathan, A., and Roy, S., “Molecular dynamics simulation of phosphoric acid doped monomer of polybenzimidazole: a potential component polymer electrolyte membrane of fuel cell”, Journal of Physical Chemistry B, vol. 116, no. 24, pp. 7357-7366, 2012.
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S. Sarkar, Pandey, P. Raj, and Roy, S., “Propensity of self-assembled leucine-lysine diblock copolymeric alpha-helical peptides to remain in parallel and antiparallel alignments in water”, Journal of Physical Chemistry B, vol. 119, no. 30, pp. 9520-9531, 2015.
S
P. Raj Pandey, Dhasaiyan, P., Prasad, B. L. V., and Roy, S., “Structural insight into self assembly of sophorolipids: a molecular dynamics simulation study”, Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry & Chemical Physics, vol. 230, no. 5-7, pp. 819-836, 2016.
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S. Biswas, Sarkar, S., Pandey, P. Raj, and Roy, S., “Transferability of different classical force fields for right and left handed alpha-helices constructed from enantiomeric amino acids”, Physical Chemistry Chemical Physics, vol. 18, no. 7, pp. 5550-5563, 2016.
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P. Dhasaiyan, Pandey, P. Raj, Visaveliya, N., Roy, S., and Prasad, B. L. V., “Vesicle structures from bolaamphiphilic biosurfactants: experimental and molecular dynamics simulation studies on the effect of unsaturation on sophorolipid self-assemblies”, Chemistry-A European Journal, vol. 20, pp. 6246-6250, 2014.