biblio

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Filters: Keyword is Molecular dynamics simulations  [Clear All Filters]
2015
K. Kumar, Patel, K., Agrawal, D. C., and Khire, J. Malhar, “Insights into the unfolding pathway and identification of thermally sensitive regions of phytase from aspergillus niger by molecular dynamics simulations”, Journal of Molecular Modeling, vol. 21, no. 6, p. UNSP 163, 2015.
2018
A. S. Sandholu, Mohole, M., Duax, W. L., Thulasiram, H. V., Sengupta, D., and Kulkarni, K., “Dynamics of loops at the substrate entry channel determine the specificity of iridoid synthases”, Febs Letters, vol. 592, no. 15, pp. 2624-2635, 2018.
2022
D. Roy, Sengupta, D., and Kulkarni, K., “Substrate induced dynamical remodeling of the binding pocket generates GTPase specificity in DOCK family of guanine nucleotide exchange factors”, Biochemical and Biophysical Research Communications, vol. 631, pp. 32-40, 2022.
2023
S. Prakash, Krishna, A., and Sengupta, D., “Cofilin-membrane interactions: electrostatic effects in phosphoinositide lipid binding”, ChemPhysChem, vol. 24, no. 3, 2023.
2024
M. Mohole, Naglekar, A., Sengupta, D., and Chattopadhyay, A., “Probing the energy landscape of the lipid interactions of the serotonin 1A receptor”, Biophysical Chemistry, vol. 313, p. 107289, 2024.
2025
S. Gharui and Sengupta, D., “Molecular interactions of the pioneer transcription factor GATA3 With DNA”, Proteins-Structure Function and Bioinformatics, vol. 93, no. 2, pp. 555-566, 2025.