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In silico development of potential InhA inhibitors through 3D-QSAR analysis, virtual screening and molecular dynamics.
Bhaskar V, Kumar S, Sujathan Nair A, Gokul S, Rajappan Krishnendu P, Benny S, Amrutha CT, Manisha DS, Bhaskar V, Mary Zachariah S, Aneesh TP, Abdelgawad MA, Ghoneim MM, Pappachen LK, Nicolotti O, Mathew B. Bhaskar V, et al. J Biomol Struct Dyn. 2023 Dec 8:1-23. doi: 10.1080/07391102.2023.2291549. Online ahead of print. J Biomol Struct Dyn. 2023. PMID: 38064315
A computational investigation of thymidylate synthase inhibitors through a combined approach of 3D-QSAR and pharmacophore modelling.
Benny S, Rajappan Krishnendu P, Kumar S, Bhaskar V, Manisha DS, Abdelgawad MA, Ghoneim MM, Naguib IA, Pappachen LK, Mary Zachariah S, Mathew B, Tp A. Benny S, et al. Among authors: bhaskar v. J Biomol Struct Dyn. 2023 Oct 23:1-20. doi: 10.1080/07391102.2023.2270752. Online ahead of print. J Biomol Struct Dyn. 2023. PMID: 37870113
130 results