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PubMed list of Santhosh K. Nagarajan |
Paper inaccessible? |
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PubMed list of Santhosh K. Nagarajan |
Paper inaccessible? |
2024
Nagarajan SK, Piontek J (2024) Molecular dynamics simulations of claudin-10a and -10b ion channels: With similar architecture, different pore linings determine the opposite charge selectivity. Int. J. Mol. Sci. 25(6): 3161 (23 pages), doi: 10.3390/ijms25063161 (°IF 5.6)
2023
Nagarajan SK, Klein S, Fadakar BS, Piontek J (2023) Claudin-10b cation channels in tight junction strands: Octameric-interlocked pore barrels constitute paracellular channels with low water permeability Comp. Struct. Biotechnol. J. 21: 1711-1727, doi: 10.1016/j.csbj.2023.02.009 (°IF 6.0)
2022
Nagarajan SK, Babu S, Devaraju P, Sohn H, Madhavan T (2022) Structure and dynamics of the somatostatin receptor 3‐ligand binding in the presence of lipids examined using computational structural biology methods.
Babu S, Nagarajan SK, Sathish S, Negi VS, Sohn H, Madhavan T (2022) Identification of potent and selective JAK1 lead compounds through ligand-based drug design approaches.
Kulkarni SA, Sellamuthu PS, Nagarajan SK; Madhavan T, Sadiku ER (2022) Antifungal activity of wild bergamot (Monarda fistulosa) essential oil against postharvest fungal pathogens of banana fruits.
Sinha P, Arunachalam KD, Nagarajan SK, Madhavan T, Jayakumar AR, Saiyad Musthafa M (2022) Radio-protective efficacy of Gymnema sylvestre on Pangasius sutchi against gamma (60Co) irradiation.
2021
Nagarajan SK, Babu S, Kulkarni SA, Vadivelu A, Devaraju P, Sohn H, Madhavan T (2021) Understanding the influence of lipid bilayers and ligand molecules in determining the conformational dynamics of somatostatin receptor 2.
Sridharan S, Nagarajan SK, Venugopal K, Venkatasubbu GD (2021) Time-dependent conformational analysis of ALK5-lumican complex in presence of graphene and graphene oxide employing molecular dynamics and MMPBSA calculation.
2020
Nagarajan SK, Babu S, Sohn H, Madhavan T (2020) Molecular-level understanding of the somatostatin receptor 1 (SSTR1)-ligand binding: a structural biology study based on computational methods.
Kulkarni SA, Nagarajan SK, Ramesh V, Palaniyandi V, Selvam SP, Madhavan T (2020) Computational evaluation of major components from plant essential oils as potent inhibitors of SARS-CoV-2 spike protein.
2019
Babu S, Nagarajan SK, Madhavan T (2019) Understanding the structural features of JAK2 inhibitors: a combined 3D-QSAR, DFT and molecular dynamics study.
Babu S, Nagarajan SK, Madhavan T (2019) Investigation of Empirical and Semi‐Empirical Charges to Study the Effects of Partial Charges on Quality and Prediction Accuracy in 3D-QSAR.
2018
Nagarajan SK, Babu S, Sohn H, Devaraju P, Madhavan T (2018) Toward a better understanding of the interaction between somatostatin receptor 2 and its ligands: a structural characterization study using molecular dynamics and conceptual density functional theory.
Balasubramanian A, Bhattacharjee M, Sakthivel M, Thirumavalavan M, Madhavan T; Nagarajan SK, Palaniyandi V, Raman P (2018) Isolation, purification and characterization of proteinaceous fungal α-amylase inhibitor from rhizome of Cheilocostus speciosus (J. Koenig) CD Specht.
2017
Nagarajan SK, Babu S, Madhavan T (2017) Theoretical analysis of somatostatin receptor 5 with antagonists and agonists for the treatment of neuroendocrine tumors.
Nagarajan SK, Babu S, Sohn H, Devaraju P, Madhavan T (2017) 3D-QSAR studies on indole and 7-azoindole derivatives as ROCK-2 inhibitors: An integrative computational approach.
2016
Babu S, Nagarajan SK, Lee SH, Madhavan T (2016) Structural characterization of human CRTh2: a combined homology modeling, molecular docking and 3D-QSAR-based in silico approach.
Babu S, Rupa M, Nagarajan SK, Sohn H, Madhavan T (2016) Molecular modeling study on diazine indole acetic acid derivatives for CRTH2 inhibitory activity.
