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Investigating the structure, bonding, and energy decomposition analysis of group 10 transition metal carbonyls with substituted terminal germanium chalcogenides [M(CO)3GeX] (M = Ni, Pd, and Pt; X = O, S, Se, and Te) complexes: insight from first-principles calculations.
Priyadharsan RR, Timothy RA, Thomas JM, Jeyakumar TC, Rajaram R, Louis H. Priyadharsan RR, et al. Among authors: jeyakumar tc. J Mol Model. 2023 Oct 17;29(11):344. doi: 10.1007/s00894-023-05745-8. J Mol Model. 2023. PMID: 37847395
Isolation and biological evaluation 7-hydroxy flavone from Avicennia officinalis L: insights from extensive in vitro, DFT, molecular docking and molecular dynamics simulation studies.
Parthiban A, Sachithanandam V, Lalitha P, Elumalai D, Asha RN, Jeyakumar TC, Muthukumaran J, Jain M, Jayabal K, Mageswaran T, Sridhar R, Purvaja R, Ramesh R. Parthiban A, et al. Among authors: jeyakumar tc. J Biomol Struct Dyn. 2023 Apr;41(7):2848-2860. doi: 10.1080/07391102.2022.2039771. Epub 2022 Feb 22. J Biomol Struct Dyn. 2023. PMID: 35193476
Synthesis, spectral, DFT calculation, antimicrobial, antioxidant, DNA/BSA binding and molecular docking studies of bio-pharmacologically active pyrimidine appended Cu(II) and Zn(II) complexes.
Revathi N, Sankarganesh M, Dhaveethu Raja J, Johnson Raja S, Gurusamy S, Nandini Asha R, Jeyakumar TC. Revathi N, et al. Among authors: jeyakumar tc. J Biomol Struct Dyn. 2023;41(24):14914-14928. doi: 10.1080/07391102.2023.2196696. Epub 2023 Apr 6. J Biomol Struct Dyn. 2023. PMID: 37021479