Publications

12 Lasorsa, A.#, Bera, K.#, Malki, I.#, Dupré, E., Cantrelle, F. X., Merzougui, H., Sinnaeve, D., Hanoulle, X., Hritz, J., Landrieu, I. (2023) Conformation and Affinity Modulations by Multiple Phosphorylation Occurring in the BIN1 SH3 Domain Binding Site of the Tau Protein Proline-Rich Region. Biochemistry, American Chemical Society, 62, 11, 1631–1642, doi: https://doi.org/10.1021/acs.biochem.2c00717

11 Das N. R., Bera K., Sharma T., Toropova A. P., Toropov, A. A., Achary P. G. R.* (2022) Computational approach for building QSAR models for inhibition of HIF-1A; Journal of the Indian Chemical Society, Elsevier, doi: https://doi.org/10.1016/j.jics.2022.100687

10 Subadini, S., Panigrahy, R. S., Gupta, N. K., Bera, K., Sahoo, H*. (2022) Impact of chromate and dichromate on lysozyme stability: A spectroscopic and molecular docking investigation. Luminescence, Wiley, doi: https://doi.org/10.1002/bio.4231

9 Subadini S., Bera K., Hritz J., Sahoo H*. (2021) Polyethylene glycol perturbs the unfolding of CRABP I: A correlation between experimental and theoretical approach; Colloids and Surfaces B: Biointerfaces, Elsevier, 0927-7765, doi: https://doi.org/10.1016/j.colsurfb.2021.111696

8 Bera K., Reeda V. S. J., Babila P. R., Dinesh D. C., Hritz J., Karthick T.* (2021) An in silico molecular dynamics simulation study on the inhibitors of SARS-CoV-2 proteases (3CLpro and PLpro) to combat COVID-19. Molecular Simulation, Taylor & Francis Ltd., 0892-7022, doi: https://doi.org/10.1080/08927022.2021.1957884

7 Bera K.* (2021) Binding and inhibitory effect of ravidasvir on 3CLpro of SARS-CoV‐2: a molecular docking, molecular dynamics and MM/PBSA approach. Journal of Biomolecular Structure and Dynamics, Taylor & Francis Ltd., doi: https://doi.org/10.1080/07391102.2021.1896388

6 Millan S., Satish S., Bera K., Sahoo H.* (2019) Binding and inhibitory effect of the food colorants Sunset Yellow and Ponceau 4R on amyloid fibrillation of lysozyme, New Journal of Chemistry, Royal Society of Chemistry, 43 (9), 3956-3968. doi: https://doi.org/10.1039/C8NJ05827J

5 Bera K., Rani P., Kishor G., Agarwal S., Kumar A., Singh D. V.* (2018) Structural elucidation of transmembrane domain zero (TMD0) of EcdL: A multidrug resistance-associated protein (MRP) family of ATP-binding cassette transporter protein revealed by atomistic simulation, Journal of Biomolecular Structure and Dynamics, Taylor & Francis Ltd., (11), 2938-2950 doi: https://doi.org/10.1080/07391102.2017.1372311

4 Millan S., Satish L., Bera K., Konar M., Sahoo H.* (2018) Exploring the effect of 5- Fluorouracil on conformation, stability and activity of Lysozyme by combine approach of spectroscopic and theoretical studies, Journal of Photochemistry & Photobiology, B: Biology, Elsevier, 179, 23–3, doi: https://doi.org/10.1016/j.jphotobiol.2017.12.019

3 Millan S., Satish L., Bera K., Susrisweta B., Singh D. V., Sahoo H.* (2017) A Spectroscopic and Molecular Simulation Approach toward the Binding Affinity between Lysozyme and Phenazinium Dyes: An Effect on Protein Conformation, The Journal of Physical Chemistry B, American Chemical Society, 121 (7), 1475-1484, doi: https://doi.org/10.1021/acs.jpcb.6b10991

2 Mahapatra M. K., Bera K., Singh D. V., Kumar R., Kumar M.* (2017) In silico modelling and molecular dynamics simulation studies of thiazolidine based PTP1B inhibitors, Journal of Biomolecular Structure and Dynamics, Taylor & Francis Ltd., 36 (5), 1195-1211 doi: https://doi.org/10.1080/07391102.2017.1317026

1 Satish L., Millan S., Bera K., Mohapatra S., Sahoo H.* (2017) A spectroscopic and molecular dynamics simulation approach towards the stabilizingeffect of ammonium-based ionic liquids on bovine serum albumin, New Journal of Chemistry, Royal Society of Chemistry, 41 (19), 10712-10722, doi: https://doi.org/10.1039/C7NJ02900D