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, “Effect of the A30P mutation on the structural dynamics of micelle-bound alpha synuclein released in water: a molecular dynamics study”, European Biophysics Journal With Biophysics Letters, vol. 41, no. 5, pp. 483-489, 2012.
, “Molecular dynamics simulation studies of the structural response of an isolated A beta(1-42) monomer localized in the vicinity of the hydrophilic TiO2 surface”, European Biophysics Journal, vol. 42, no. 6, pp. 487-494, 2013.
, “Surface induced collapse of A beta(1-42) with the F19A replacement following adsorption on a single walled carbon nanotube”, Biophysical Chemistry, vol. 184, pp. 108-115, 2013.
, “Differential dynamics of the serotonin(1A) receptor in membrane bilayers of varying cholesterol content revealed by all atom molecular dynamics simulation”, Molecular Membrane Biology, vol. 32, no. 4, pp. 127-137, 2015.
, “Genome-wide identification and structure-function studies of proteases and protease inhibitors in cicer arietinum (chickpea)”, Computers in Biology and Medicine, vol. 56, pp. 67-81, 2015.
, “Molecular basis of drug resistance in smoothened receptor: an in silico study of protein resistivity and specificity”, Proteins-Structure Function and Bioinformatics, 2019.
, “Glass transition temperature of polybutadiene and polyisoprene from high temperature segmental relaxation correlation using molecular dynamics”, Soft Materials, vol. 18, no. 2-3, pp. 290-296, 2020.
, “Governing dynamics and preferential binding of the AXH domain influence the aggregation pathway of Ataxin-1”, Proteins-Structure Function and Bioinformatics, vol. 91, no. 3, pp. 380-394, 2023.
, “Repurposing phytochemicals of Citrullus colocynthis against maltase-glucoamylase using molecular docking, MMGBSA, MD simulation and linear regression to identify potential anti-diabetic compounds”, Journal of biomolecular structure and dynamics, vol. 42, no. 10, pp. 5197-5206, 2024.
, “Structure of epoxide hydrolase 2 from Mangifera indica throws light on the substrate specificity determinants of plant epoxide hydrolases”, Biochemical and Biophysical Research Communications, vol. 733, p. 150444, 2024.