Hasil Pencarian - Renjith Thomas

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  1. 1
    Understanding the behavior of a potential anticancer lamotrigine in explicit solvent (water and DMSO) using quantum mechanical tools and abinitio molecular dynamics

    Understanding the behavior of a potential anticancer lamotrigine in explicit solvent (water and DMSO) using quantum mechanical tools and abinitio molecular dynamics oleh Elham S. Aazam, Renjith Thomas

    Diterbitkan 2024-06-01
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  2. 2
    Understanding the hydrogen bonding preferences and dynamics of prontosil in water and methanol

    Understanding the hydrogen bonding preferences and dynamics of prontosil in water and methanol oleh Gayathri Ashok, Francis Thomas, Renjith Thomas

    Diterbitkan 2024-06-01
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  3. 3
    Exploring non-covalent interactions: A computational study of methyl acetate in chloroform and hexafluoroisopropanol

    Exploring non-covalent interactions: A computational study of methyl acetate in chloroform and hexafluoroisopropanol oleh Sneha Anna Sunny, Tomlal Jose E, Renjith Thomas

    Diterbitkan 2024-06-01
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  4. 4
    Growth, spectral, optical, electrical and computational analysis of sodium oxalate single crystals

    Growth, spectral, optical, electrical and computational analysis of sodium oxalate single crystals oleh R. Ramalakshmi, S. Stella Mary, S. Shahil Kirupavathy, S. Muthu, Renjith Thomas

    Diterbitkan 2021-03-01
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  5. 5
    DFT and molecular docking investigations of oxicam derivatives

    DFT and molecular docking investigations of oxicam derivatives oleh Y.Shyma Mary, Y.Sheena Mary, K.S. Resmi, Renjith Thomas

    Diterbitkan 2019-07-01
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  6. 6
    Integrated experimental and computational study of a fluorescent Schiff base: Synthesis, characterization, electronic structure properties, and biological potentials of (1E,1’E)-1,1’-(1,4-phenylene) bis(N-(2-chlorophenyl) methanimine) with a focus on molecular docking and dynamics simulation

    Integrated experimental and computational study of a fluorescent Schiff base: Synthesis, characterization, electronic structure properties, and biological potentials of (1E,1’E)-1,... oleh K.J. Rajimon, Deepthi S．Rajendran Nair, Dharini Srinivasaragavan, Renjith Thomas

    Diterbitkan 2024-06-01
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  7. 7
    Design, synthesis of new 4,5-dibenzylidene-9,10-diphenyl-1,2,7,8,9,10 hexahydroacridine-3,6-dione derivatives using extract of Vitexnegundo: Cytotoxic activity & molecular docking study

    Design, synthesis of new 4,5-dibenzylidene-9,10-diphenyl-1,2,7,8,9,10 hexahydroacridine-3,6-dione derivatives using extract of Vitexnegundo: Cytotoxic activity & molecular dock... oleh Perumal Gobinath, Ponnusamy Packialakshmi, Govindasamy Thilagavathi, Natarajan Elangovan, Renjith Thomas, Radhakrishnan Surendrakumar

    Diterbitkan 2024-06-01
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  8. 8
    An in-depth study of the synthesis, electronic framework, and pharmacological profiling of 1-(anthracen-9-yl)-N-(4-nitrophenyl) methanimine: In vitro and in silico investigations on molecular docking, dynamics simulation, BSA/DNA binding and toxicity studies

    An in-depth study of the synthesis, electronic framework, and pharmacological profiling of 1-(anthracen-9-yl)-N-(4-nitrophenyl) methanimine: In vitro and in silico investigations o... oleh K.J. Rajimon, N. Sreelakshmi, Deepthi S. Rajendran Nair, N. Fazulunnisa Begum, Renjith Thomas

    Diterbitkan 2024-06-01
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  9. 9
    Detailed quantum mechanical, molecular docking, QSAR prediction, photovoltaic light harvesting efficiency analysis of benzil and its halogenated analogues

    Detailed quantum mechanical, molecular docking, QSAR prediction, photovoltaic light harvesting efficiency analysis of benzil and its halogenated analogues oleh Y. Shyma Mary, Y. Sheena Mary, K.S. Resmi, Veena S. Kumar, Renjith Thomas, B. Sureshkumar

    Diterbitkan 2019-11-01
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  10. 10
    Solid state synthesis of a fluorescent Schiff base (E)-1-(perfluorophenyl)-N-(o-toly)methanimine followed by computational, quantum mechanical and molecular docking studies

    Solid state synthesis of a fluorescent Schiff base (E)-1-(perfluorophenyl)-N-(o-toly)methanimine followed by computational, quantum mechanical and molecular docking studies oleh J. Geethapriya, Anitha Rexalin Devaraj, K. Gayathri, R. Swadhi, N. Elangovan, S.Manivel, S. Sowrirajan, Renjith Thomas

    Diterbitkan 2023-01-01
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  11. 11
    Conformational profile, vibrational assignments, NLO properties and molecular docking of biologically active herbicide1,1-dimethyl-3-phenylurea

    Conformational profile, vibrational assignments, NLO properties and molecular docking of biologically active herbicide1,1-dimethyl-3-phenylurea oleh K. Haruna, Veena S. Kumar, Y. Sheena Mary, S.A. Popoola, Renjith Thomas, M.S. Roxy, A.A. Al-Saadi

    Diterbitkan 2019-06-01
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  12. 12
    Detailed molecular structure (XRD), conformational search, spectroscopic characterization (IR, Raman, UV, fluorescence), quantum mechanical properties and bioactivity prediction of a pyrrole analogue

    Detailed molecular structure (XRD), conformational search, spectroscopic characterization (IR, Raman, UV, fluorescence), quantum mechanical properties and bioactivity prediction of... oleh Katta Eswar Srikanth, A. Veeraiah, T. Pooventhiran, Renjith Thomas, K. Anand Solomon, Ch.J. Soma Raju, J. Naveena Lavanya Latha

    Diterbitkan 2020-06-01
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  13. 13
    Synthesis and Biological Evaluation of Octahydroquinazolinones as Phospholipase A2, and Protease Inhibitors: Experimental and Theoretical Exploration

    Synthesis and Biological Evaluation of Octahydroquinazolinones as Phospholipase A2, and Protease Inhibitors: Experimental and Theoretical Exploration oleh Md. Afroz Bakht, Thangaiyan Pooventhiran, Renjith Thomas, Mehnaz Kamal, Israf Ud Din, Najeeb Ur Rehman, Imtiaz Ali, Noushin Ajmal, Mohamed Jawed Ahsan

    Diterbitkan 2023-02-01
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  14. 14
    Understanding the electronic structure of the alkaloid in scorpion venom through drug adsorption and molecular docking studies on COVID-19 proteins

    Understanding the electronic structure of the alkaloid in scorpion venom through drug adsorption and molecular docking studies on COVID-19 proteins oleh Anbumani Velmurugan Ilavarasi, Francisxavier Paularokiadoss, L. Mary Novena, T. Pooventhiran, Sultan Erkan, Christian A. Celaya, Renjith Thomas, Dinakara Rao Ampasala, Thayalaraj Christopher Jeyakumar

    Diterbitkan 2023-12-01
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  15. 15
    Phenolic and flavonoid contents in Malva sylvestris and exploration of active drugs as antioxidant and anti-COVID19 by quantum chemical and molecular docking studies

    Phenolic and flavonoid contents in Malva sylvestris and exploration of active drugs as antioxidant and anti-COVID19 by quantum chemical and molecular docking studies oleh Ahmad Irfan, Muhammad Imran, Muhammad Khalid, Muhammad Sami Ullah, Noreen Khalid, Mohammed A. Assiri, Renjith Thomas, S. Muthu, Muhammad Asim Raza Basra, Mohammed Hussein, Abdullah G. Al-Sehemi, Mohsin Shahzad

    Diterbitkan 2021-08-01
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