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Issue Date	Title	Author(s)
2023-01	Molecular Docking and Dynamics Identifies Potential Repurposed Drug Candidates for COVID-19 Studies	Murugesan, Sankaranarayanan
2020-09	Pharmacophore based virtual screening, molecular docking, molecular dynamics and MM-GBSA approach for identification of prospective SARS-CoV-2 inhibitor from natural product databases	Murugesan, Sankaranarayanan
2022-12	Identification of Papain-Like Protease inhibitors of SARS CoV-2 through HTVS, Molecular docking, MMGBSA and Molecular dynamics approach	Murugesan, Sankaranarayanan
2021-09	Design, synthesis and evaluation of novel β-carboline ester analogues as potential anti-leishmanial agents	Murugesan, Sankaranarayanan
2023-11	In Silico Exploration of Bisphosphonate Scaffolds as Potential Inhibitors of SARS-CoV-2 RdRp for COVID-19 and PASC	Murugesan, Sankaranarayanan
2017-01	Synthesis, evaluation and molecular modelling studies of 2-(carbazol-3-yl)-2-oxoacetamide analogues as a new class of potential pancreatic lipase inhibitors	Kumar, Dalip; Paul, Atish Tulshiram
2019-04	Design, synthesis, biological evaluation and molecular modelling studies of indole glyoxylamides as a new class of potential pancreatic lipase inhibitors	Paul, Atish Tulshiram
2021-05	Synthesis, molecular modelling, in vitro and in vivo evaluation of conophylline inspired novel benzyloxy substituted indole glyoxylamides as potent pancreatic lipase inhibitors	Paul, Atish Tulshiram
2022-11	Molecular modelling, synthesis and in vitro evaluation of quinazolinone hybrid analogues as potential pancreatic lipase inhibitors	Paul, Atish Tulshiram
2022-11	Identification of a new and diverse set of Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) inhibitors using structure-based virtual screening: Experimental validation and molecular dynamics studies	Sundriyal, Sandeep