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Y.  Yadav and Ramasamy, S., ?Allostery mapping in enterococcus faecalis Bile Salt Hydrolase (BSH)?, Acta Crystallographica A?Foundation and Advances, vol. 70, p. C274, 2014.\par \par 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.\par \par S.  Dalal, Mhashal, A., Kadoo, N., and Gaikwad, S. M., ?Functional stability and structural transitions of kallikrein: spectroscopic and molecular dynamics studies?, Journal of Biomolecular Structure & Dynamics, vol. 35, no. 2, pp. 330-342, 2017.\par \par P.  Sharma, Roy, S., and Karimi-Varzaneh, H. Ali, ?Impact of plasticizer addition on molecular properties of polybutadiene rubber and its manifestations to glass transition temperature?, Macromolecular Theory and Simulations, vol. 28, no. 4, p. 1900003, 2019.\par \par R.  Sahoo and Kadoo, N., ?Transcriptome analysis and Structure-Based drug discovery identifies potential biofungicides for controlling Fusarium wilt in chickpea?, Journal of Molecular Liquids, vol. 399, 2024.\par \par R.  Sahoo and Kadoo, N. Y., ?Integrative multi-omics and computer-aided biofungicide design approach to combat fusarium wilt of chickpea?, Planta, vol. 262, no. 5, p. 107, 2025.\par \par }