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
Kumar Nagarajan, Santhosh, Babu, Sathya, Sohn, Honglae, Devaraju, Panneer, Madhavan, Thirumurthy
Published in Journal of biomolecular structure & dynamics (13.08.2019)
Published in Journal of biomolecular structure & dynamics (13.08.2019)
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Journal Article
Computational evaluation of major components from plant essential oils as potent inhibitors of SARS-CoV-2 spike protein
Kulkarni, Seema A., Nagarajan, Santhosh Kumar, Ramesh, Veena, Palaniyandi, Velusamy, Selvam, S. Periyar, Madhavan, Thirumurthy
Published in Journal of molecular structure (05.12.2020)
Published in Journal of molecular structure (05.12.2020)
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Journal Article
Molecular Dynamics Simulations of Claudin-10a and -10b Ion Channels: With Similar Architecture, Different Pore Linings Determine the Opposite Charge Selectivity
Nagarajan, Santhosh Kumar, Piontek, Jörg
Published in International journal of molecular sciences (09.03.2024)
Published in International journal of molecular sciences (09.03.2024)
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Journal Article
Molecular Modeling Study on Diazine Indole Acetic Acid Derivatives for CRTH2 Inhibitory Activity
Babu, Sathya, Rupa, Mottadi, Nagarajan, Santhosh Kumar, Sohn, Honglae, Madhavan, Thirumurthy
Published in Combinatorial chemistry & high throughput screening (01.01.2016)
Published in Combinatorial chemistry & high throughput screening (01.01.2016)
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Journal Article
Claudin-10b cation channels in tight junction strands: Octameric-interlocked pore barrels constitute paracellular channels with low water permeability
Nagarajan, Santhosh Kumar, Klein, Stanislav, Fadakar, Bita Sokhandan, Piontek, Jörg
Published in Computational and structural biotechnology journal (01.01.2023)
Published in Computational and structural biotechnology journal (01.01.2023)
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Journal Article
Understanding the influence of lipid bilayers and ligand molecules in determining the conformational dynamics of somatostatin receptor 2
Nagarajan, Santhosh Kumar, Babu, Sathya, Kulkarni, Seema A., Vadivelu, Aanand, Devaraju, Panneer, Sohn, Honglae, Madhavan, Thirumurthy
Published in Scientific reports (07.04.2021)
Published in Scientific reports (07.04.2021)
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Journal Article
Structure and dynamics of the somatostatin receptor 3‐ligand binding in the presence of lipids examined using computational structural biology methods
Nagarajan, Santhosh Kumar, Babu, Sathya, Devaraju, Panneer, Sohn, Honglae, Madhavan, Thirumurthy
Published in Proteins, structure, function, and bioinformatics (01.03.2022)
Published in Proteins, structure, function, and bioinformatics (01.03.2022)
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Journal Article
Antifungal activity of wild bergamot (Monarda fistulosa) essential oil against postharvest fungal pathogens of banana fruits
Kulkarni, Seema A., Sellamuthu, Periyar Selvam, Nagarajan, Santhosh Kumar, Madhavan, Thirumurthy, Sadiku, Emmanuel Rotimi
Published in South African journal of botany (01.01.2022)
Published in South African journal of botany (01.01.2022)
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Journal Article
Time-dependent conformational analysis of ALK5-lumican complex in presence of graphene and graphene oxide employing molecular dynamics and MMPBSA calculation
Sridharan, Sindhiya, Nagarajan, Santhosh Kumar, Venugopal, Kathirvel, Venkatasubbu, G. Devanand
Published in Journal of biomolecular structure & dynamics (21.07.2022)
Published in Journal of biomolecular structure & dynamics (21.07.2022)
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Journal Article
Radio-protective efficacy of Gymnema sylvestre on Pangasius sutchi against gamma (60Co) irradiation
Sinha, Pamela, Arunachalam, Kantha Devi, Nagarajan, Santhosh Kumar, Madhavan, Thirumurthy, R. Jayakumar, Arumugam, Saiyad Musthafa, Mohamed
Published in International journal of radiation biology (01.02.2022)
Published in International journal of radiation biology (01.02.2022)
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Isolation, purification and characterization of proteinaceous fungal α-amylase inhibitor from rhizome of Cheilocostus speciosus (J.Koenig) C.D.Specht
Balasubramanian, Abinaya, Bhattacharjee, Manish, Sakthivel, Meenakumari, Thirumavalavan, Munusamy, Madhavan, Thirumurthy, Nagarajan, Santhosh Kumar, Palaniyandi, Velusamy, Raman, Pachaiappan
Published in International journal of biological macromolecules (01.05.2018)
Published in International journal of biological macromolecules (01.05.2018)
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Journal Article
3D-QSAR studies on indole and 7-azoindole derivatives as ROCK-2 inhibitors: An integrative computational approach
Nagarajan, Santhosh Kumar, Babu, Sathya, Sohn, Honglae, Devaraju, Panneer, Madhavan, Thirumurthy
Published in Computational biology and chemistry (01.12.2017)
Published in Computational biology and chemistry (01.12.2017)
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