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3 Biotech|December 22, 2023
In silico screening of chalcone derivatives as promising EGFR-TK inhibitors for the clinical treatment of cancerShalini Mathpal, Tushar Joshi, Priyanka Sharma, et al.Journal of Biomolecular Structure & Dynamics|December 11, 2024
Identification of novel fructose 1,6-bisphosphate aldolase inhibitors against tuberculosis: QSAR, molecular docking, and molecular dynamics simulation-based analysis of DrugBank compoundsSubathra Raju, Kasi Murugan, Mahesha Nand, et al.Journal of Molecular Graphics & Modelling|December 17, 2020
Identification of potent Antigen 85C inhibitors of Mycobacterium tuberculosis via in-house lichen library and binding free energy studies Part-IIRagini Pant, Amit Joshi, Tanuja Joshi, et al.Scientific Reports|November 24, 2020
Virtual screening of anti-HIV1 compounds against SARS-CoV-2: machine learning modeling, chemoinformatics and molecular dynamics simulation based analysisMahesha Nand, Priyanka Maiti, Tushar Joshi, et al.Journal of Biomolecular Structure & Dynamics|December 2, 2021
In silico screening of natural compounds to inhibit interaction of human ACE2 receptor and spike protein of SARS-CoV-2 for the prevention of COVID-19Priyanka Sharma, Tanuja Joshi, Tushar Joshi, et al.Molecular Diversity|October 12, 2021
Computational investigation of drug bank compounds against 3C-like protease (3CLpro) of SARS-CoV-2 using deep learning and molecular dynamics simulationTushar Joshi, Priyanka Sharma, Shalini Mathpal, et al.EMBO Reports|March 29, 2018
CLPP deficiency protects against metabolic syndrome but hinders adaptive thermogenesisChristina Becker, Alexandra Kukat, Karolina Szczepanowska, et al.EMBO Reports|May 8, 2016
Loss of CLPP alleviates mitochondrial cardiomyopathy without affecting the mammalian UPRmtDominic Seiferling, Karolina Szczepanowska, Christina Becker, et al.Science (New York, N.Y.)|February 19, 2021
Mechanism of membrane-tethered mitochondrial protein synthesisYuzuru Itoh, Juni Andréll, Austin Choi, et al.Journal of Biomolecular Structure & Dynamics|September 21, 2023
Potent multi-target natural inhibitors against SARS-CoV-2 from medicinal plants of the Himalaya: a discovery from hybrid machine learning, chemoinformatics, and simulation assisted screeningPriyanka Maiti, Mahesha Nand, Shalini Mathpal, et al.Pageof 3