Search Results - SASIKALA, Wilbee D

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  1. 1
    Computational screening combined with well-tempered metadynamics simulations identifies potential TMPRSS2 inhibitors

    Computational screening combined with well-tempered metadynamics simulations identifies potential TMPRSS2 inhibitors by Sharanya, C. S., Wilbee, D. Sasikala, Sathi, Shijulal Nelson, Natarajan, Kathiresan

    Published in Scientific reports
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  2. 2
    Single Water Entropy: Hydrophobic Crossover and Application to Drug Binding

    Single Water Entropy: Hydrophobic Crossover and Application to Drug Binding by Sasikala, Wilbee D, Mukherjee, Arnab

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  3. 3
    Molecular Mechanism of Direct Proflavine–DNA Intercalation: Evidence for Drug-Induced Minimum Base-Stacking Penalty Pathway

    Molecular Mechanism of Direct Proflavine–DNA Intercalation: Evidence for Drug-Induced Minimum Base-Stacking Penalty Pathway by Sasikala, Wilbee D, Mukherjee, Arnab

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  4. 4
    Intercalation and de-intercalation pathway of proflavine through the minor and major grooves of DNA: roles of water and entropy

    Intercalation and de-intercalation pathway of proflavine through the minor and major grooves of DNA: roles of water and entropy by SASIKALA, Wilbee D, MUKHERJEE, Arnab

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  5. 5
    Structure and dynamics of proflavine association around DNA

    Structure and dynamics of proflavine association around DNA by Sasikala, Wilbee D, Mukherjee, Arnab

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  6. 6
    Molecular Origin of DNA Kinking by Transcription Factors

    Molecular Origin of DNA Kinking by Transcription Factors by Singh, Reman Kumar, Sasikala, Wilbee D, Mukherjee, Arnab

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  7. 7
    Comparative Study of Flavins Binding with Human Serum Albumin: A Fluorometric, Thermodynamic, and Molecular Dynamics Approach

    Comparative Study of Flavins Binding with Human Serum Albumin: A Fluorometric, Thermodynamic, and Molecular Dynamics Approach by Sengupta, Abhigyan, Sasikala, Wilbee D., Mukherjee, Arnab, Hazra, Partha

    Published in Chemphyschem
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  8. 8
    Modulation of excimer formation of 9-(dicyano-vinyl)julolidine by the macrocyclic hosts

    Modulation of excimer formation of 9-(dicyano-vinyl)julolidine by the macrocyclic hosts by GAWALA, Krishna, SASIKALA, Wilbee D, SENGUPTA, Abhigyan, DALVI, Siddhi A, MUKHERJEE, Arnab, HAZRA, Partha

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  9. 9
    Intercalation and de-intercalation pathway of proflavine through the minor and major grooves of DNA: roles of water and entropyElectronic supplementary information (ESI) available: Shows time dependence of CVs, detailed analysis of the intercalation, de-intercalation and dissociation processes, additional free energy surface for intercalation from the major groove side, comparison of the crystal structure with configurations obtained during simulation. See DOI: 10.1039/c3cp50501d

    Intercalation and de-intercalation pathway of proflavine through the minor and major grooves of DNA: roles of water and entropyElectronic supplementary information (ESI) available:... by Sasikala, Wilbee D, Mukherjee, Arnab

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  10. 10
    Modulation of excimer formation of 9-(dicyano-vinyl)julolidine by the macrocyclic hostsElectronic supplementary information (ESI) available. See DOI: 10.1039/c2cp43282j

    Modulation of excimer formation of 9-(dicyano-vinyl)julolidine by the macrocyclic hostsElectronic supplementary information (ESI) available. See DOI: 10.1039/c2cp43282j by Gavvala, Krishna, Sasikala, Wilbee D, Sengupta, Abhigyan, Dalvi, Siddhi A, Mukherjee, Arnab, Hazra, Partha

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