biblio

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2011
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.
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.
2012
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.
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.
2013
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.
2014
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.
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.
2015
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.
2016
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.
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.
2017
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.