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Journal of Biomolecular Structure & Dynamics|March 27, 2023
Identification of new oxospiro chromane quinoline-carboxylate antimalarials that arrest parasite growth at ring stageEhtesham Jameel, Hari Madhav, Prakhar Agrawal, et al.Journal of Biomolecular Structure & Dynamics|March 24, 2023
Large-scale computational screening of Indian medicinal plants reveals Cassia angustifolia to be a potentially anti-diabeticVinod Devaraji, Jayanthi Sivaraman, S PrabhuJournal of Biomolecular Structure & Dynamics|November 12, 2022
Discovery of novel HDAC8 inhibitors from natural compounds by in silico high throughput screeningS M Esther Rubavathy, Kandhan Palanisamy, S Priyankha, et al.Journal of Biomolecular Structure & Dynamics|September 13, 2021
Synthesis, anti-diabetic and in silico QSAR analysis of flavone hydrazide Schiff base derivativesWaqas Jamil, Javeria Shaikh, Maria Yousuf, et al.Journal of Biomolecular Structure & Dynamics|August 20, 2021
Comprehensive sequence and structure analysis of algal lipid catabolic enzyme Triacylglycerol lipase: an in silico study to vitalize the development of optimum engineered strains with high lipid productivitySusrita Sahoo, Budheswar Dehury, Parminder Kaur Narang, et al.Journal of Biomolecular Structure & Dynamics|August 15, 2022
Identifying Isoononin and Candidissiol as Rho-associated protein kinase 1 (ROCK1) inhibitors: a combined virtual screening and MD simulation approachBader Saud Alotaibi, Jatin Joshi, Mohammad Raghibul Hasan, et al.Journal of Biomolecular Structure & Dynamics|August 17, 2022
High-resolution liquid chromatography and mass spectrometry (HR-LCMS) assisted phytochemical profiling and an assessment of anticancer activities of Gracilaria foliifera and Turbinaria conoides using in vitro and molecular docking analysisMohini Anandrao Salunke, Balaji Sopanrao Wakure, Pravin Shridhar WakteJournal of Biomolecular Structure & Dynamics|August 17, 2022
Interaction of panduratin A and derivatives with the SARS-CoV-2 main protease (mpro): a molecular docking studyGérard Vergoten, Christian BaillyJournal of Biomolecular Structure & Dynamics|August 19, 2022
Identification of NEK7 inhibitors: structure based virtual screening, molecular docking, density functional theory calculations and molecular dynamics simulationsMubashir Aziz, Syeda Abida Ejaz, Hafiz Muzzammel Rehman, et al.Journal of Biomolecular Structure & Dynamics|November 8, 2022
Enhanced antioxidant and cytotoxic activity of ferrocenyl-substituted curcumin via stabilization of promoter c-MYC silencer elementPadma Sharma, Niki Sweta JhaPageof 932