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QSAR, Molecular Docking, MD Simulation and MMGBSA Calculations Approaches to Recognize Concealed Pharmacophoric Features Requisite for the Optimization of ALK Tyrosine Kinase Inhibitors as Anticancer Leads.
Jawarkar RD, Sharma P, Jain N, Gandhi A, Mukerjee N, Al-Mutairi AA, Zaki MEA, Al-Hussain SA, Samad A, Masand VH, Ghosh A, Bakal RL. Jawarkar RD, et al. Among authors: ghosh a. Molecules. 2022 Aug 3;27(15):4951. doi: 10.3390/molecules27154951. Molecules. 2022. PMID: 35956900 Free PMC article.
QSAR based virtual screening derived identification of a novel hit as a SARS CoV-229E 3CLpro Inhibitor: GA-MLR QSAR modeling supported by molecular Docking, molecular dynamics simulation and MMGBSA calculation approaches.
Jawarkar RD, Bakal RL, Zaki MEA, Al-Hussain S, Ghosh A, Gandhi A, Mukerjee N, Samad A, Masand VH, Lewaa I. Jawarkar RD, et al. Among authors: ghosh a. Arab J Chem. 2022 Jan;15(1):103499. doi: 10.1016/j.arabjc.2021.103499. Epub 2021 Oct 19. Arab J Chem. 2022. PMID: 34909066 Free PMC article.
COVID-19 diagnostic methods in developing countries.
Maniruzzaman M, Islam MM, Ali MH, Mukerjee N, Maitra S, Kamal MA, Ghosh A, Castrosanto MA, Alexiou A, Ashraf GM, Tagde P, Rahman MH. Maniruzzaman M, et al. Among authors: ghosh a. Environ Sci Pollut Res Int. 2022 Jul;29(34):51384-51397. doi: 10.1007/s11356-022-21041-z. Epub 2022 May 27. Environ Sci Pollut Res Int. 2022. PMID: 35619009 Free PMC article. Review.
7,961 results