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“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.
, “Proton transport mechanism of imidazole, triazole and phosphoric acid mixtures from ab initio molecular dynamics simulations”, Physical Chemistry Chemical Physics, vol. 17, no. 45, pp. 30551-30559, 2015.
, “Probing the ATP-induced conformational flexibility of the PcrA helicase protein using molecular dynamics simulation”, Journal of Molecular Modeling, vol. 22, no. 3, p. 54, 2016.
, “Phase diagram of self-assembled sophorolipid morphologies from mesoscale simulations”, Journal of Molecular Liquids, vol. 254, pp. 198-207, 2018.
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