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Molecular dynamics simulation study of Plasmodium falciparum and Escherichia coli SufA: Exploration of conformational changes possibly involved in iron-sulfur cluster transfer.
Kadirvel P, Subramanian A, Sridharan N, Subramanian S, Vimaladhasan S, Anishetty S. Kadirvel P, et al. Among authors: anishetty s. J Biomol Struct Dyn. 2020 May 15:1-12. doi: 10.1080/07391102.2020.1764389. Online ahead of print. J Biomol Struct Dyn. 2020. PMID: 32364014
Molecular dynamics of the membrane interaction and localisation of prodigiosin.
Ravindran A, Anishetty S, Pennathur G. Ravindran A, et al. Among authors: anishetty s. J Mol Graph Model. 2020 Jul;98:107614. doi: 10.1016/j.jmgm.2020.107614. Epub 2020 Apr 7. J Mol Graph Model. 2020. PMID: 32289740
Free enzyme dynamics of CmaA3 and CmaA2 cyclopropane mycolic acid synthases from Mycobacterium tuberculosis: Insights into residues with potential significance in cyclopropanation.
Annaraj P D, Kadirvel P, Subramanian A, Anishetty S. Annaraj P D, et al. Among authors: anishetty s. J Mol Graph Model. 2019 Sep;91:61-71. doi: 10.1016/j.jmgm.2019.05.016. Epub 2019 Jun 1. J Mol Graph Model. 2019. PMID: 31181453
Insights into the pH-dependent catalytic mechanism of Sulfolobus solfataricus β-glycosidase: A molecular dynamics study.
Subramanian A, Kadirvel P, Anishetty S. Subramanian A, et al. Among authors: anishetty s. Carbohydr Res. 2019 Jul 1;480:42-53. doi: 10.1016/j.carres.2019.05.012. Epub 2019 May 27. Carbohydr Res. 2019. PMID: 31174176
Thalidomide and Its Analogs Differentially Target Fibroblast Growth Factor Receptors: Thalidomide Suppresses FGFR Gene Expression while Pomalidomide Dampens FGFR2 Activity.
Sundaresan L, Kumar P, Manivannan J, Balaguru UM, Kasiviswanathan D, Veeriah V, Anishetty S, Chatterjee S. Sundaresan L, et al. Among authors: anishetty s. Chem Res Toxicol. 2019 Apr 15;32(4):589-602. doi: 10.1021/acs.chemrestox.8b00286. Epub 2019 Mar 15. Chem Res Toxicol. 2019. PMID: 30834740
Potential role of salt-bridges in the hinge-like movement of apicomplexa specific β-hairpin of Plasmodium and Toxoplasma profilins: A molecular dynamics simulation study.
Kadirvel P, Anishetty S. Kadirvel P, et al. Among authors: anishetty s. J Cell Biochem. 2018 Apr;119(4):3683-3696. doi: 10.1002/jcb.26579. Epub 2018 Jan 5. J Cell Biochem. 2018. PMID: 29236299
Comparative pan genome analysis of oral Prevotella species implicated in periodontitis.
Ibrahim M, Subramanian A, Anishetty S. Ibrahim M, et al. Among authors: anishetty s. Funct Integr Genomics. 2017 Sep;17(5):513-536. doi: 10.1007/s10142-017-0550-3. Epub 2017 Feb 24. Funct Integr Genomics. 2017. PMID: 28236274
Functional insights from a comparative study on the dynamics of Antigen85 proteins and MPT51 from Mycobacterium tuberculosis.
Sundar S, Annaraj D, Selvan A, Biswas PG, Vijayakumaran R, Anishetty S. Sundar S, et al. Among authors: anishetty s. J Mol Model. 2015 Dec;21(12):310. doi: 10.1007/s00894-015-2853-4. Epub 2015 Nov 12. J Mol Model. 2015. PMID: 26564147
Cavities create a potential back door in epoxide hydrolase Rv1938 from Mycobacterium tuberculosis-A molecular dynamics simulation study.
Selvan A, Anishetty S. Selvan A, et al. Among authors: anishetty s. Comput Biol Chem. 2015 Oct;58:222-30. doi: 10.1016/j.compbiolchem.2015.07.008. Epub 2015 Jul 29. Comput Biol Chem. 2015. PMID: 26256802
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