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Journal of Biomolecular Structure & Dynamics|May 18, 2022
Base pairs with 4-amino-3-nitrobenzonitrile: comparison with the natural WC pairs. Dimer and tetramer forms, Infrared and Raman spectra, and several proposed antiviral modified nucleosidesM Alcolea Palafox, D Kattan, M L de Pedraza Velasco, et al.Journal of Biomolecular Structure & Dynamics|July 23, 2021
In silico approach to target PI3K/Akt/mTOR axis by selected Olea europaea phenols in PIK3CA mutant colorectal cancerArindam Sain, Thirukumaran Kandasamy, Debdut NaskarJournal of Biomolecular Structure & Dynamics|July 23, 2021
HSA nanoparticles in drug recognition: mechanistic insights with naproxen, diclofenac and methimazolePooja Prasanthan, Nand KishoreJournal of Biomolecular Structure & Dynamics|July 26, 2021
Salinomycin mediated therapeutic targeting of circulating stem like cell population in oral cancerShanaya Patel, Aditi Patel, Aishwarya Nair, et al.Journal of Biomolecular Structure & Dynamics|May 20, 2022
Evidence for a high pK of an aspartic acid residue in the active site of CALB by a fully atomistic multiscale approachMatteo Capone, Laura Zanetti-Polzi, Ilenia Leonzi, et al.Journal of Biomolecular Structure & Dynamics|May 20, 2022
Molecular evolution and structural analyses of the spike glycoprotein from Brazilian SARS-CoV-2 genomes: the impact of selected mutationsPatrícia Aline Gröhs Ferrareze, Ricardo Ariel Zimerman, Vinícius Bonetti Franceschi, et al.Journal of Biomolecular Structure & Dynamics|May 23, 2022
Copper(II) Schiff base complex derived from salen ligand: structural investigation, Hirshfeld surface analysis, anticancer and anti-SARS-CoV-2Sunil Kumar, Mukesh ChoudharyJournal of Biomolecular Structure & Dynamics|May 9, 2022
"In silico identification of ethoxy phthalimide pyrazole derivatives as IL-17A and IL-18 targeted gouty arthritis agents"Abhishek Kumar Verma, Md Shahadat Hossain, Sk Faisal Ahmed, et al.Journal of Biomolecular Structure & Dynamics|May 31, 2022
Phthalide derivatives as dihydrofolate reductase inhibitors for malaria: molecular docking and molecular dynamics studiesWalaa Ibraheem, Alaa A Makki, Abdulrahim Altoam AlzainJournal of Biomolecular Structure & Dynamics|July 6, 2021
Plant derived active compounds as potential anti SARS-CoV-2 agents: an in-silico studyDharmendra Kashyap, Shweta Jakhmola, Deeksha Tiwari, et al.Pageof 935