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Journal of Biomolecular Structure & Dynamics|May 8, 2023
Evaluation of phytochemicals from Thymus serpyllum as potential drug candidates to manage oxidative stress in transition dairy cowsJahanzaib Azhar, Asif Nadeem, Maryam Javed, et al.Journal of Biomolecular Structure & Dynamics|May 8, 2023
Investigation for metallic crystals through chemical invariants, QSPR and fuzzy-TOPSISXiujun Zhang, Adnan Aslam, Saadia Saeed, et al.Journal of Biomolecular Structure & Dynamics|May 8, 2023
Identification of indole-based natural compounds as inhibitors of PARP-1 against triple-negative breast cancer: a computational studySridhar Priyankha, Varatharaj Rajapandian, Kandhan Palanisamy, et al.Journal of Biomolecular Structure & Dynamics|May 8, 2023
Virtual screening, structure based pharmacophore mapping, and molecular simulation studies of pyrido[2,3-d]pyrimidines as selective thymidylate synthase inhibitorsAdarsh Kumar, Jurica Novak, Ankit Kumar Singh, et al.Journal of Biomolecular Structure & Dynamics|April 27, 2023
In-silico identification of potential inhibitors against FabI protein in Klebsiella pneumoniaeShama Khan, Shabir A Madhi, Courtney OlwagenJournal of Biomolecular Structure & Dynamics|April 25, 2023
Bioisosteric modification of Linezolid identified the potential M. tuberculosis protein synthesis inhibitors to overcome the myelosuppression and serotonergic toxicity associated with Linezolid in the treatment of the multi-drug resistance tuberculosis (MDR-TB)Rukaiyya Girase, Iqrar Ahmad, Harun PatelJournal of Biomolecular Structure & Dynamics|August 25, 2020
In silico validation of coumarin derivatives as potential inhibitors against Main Protease, NSP10/NSP16-Methyltransferase, Phosphatase and Endoribonuclease of SARS CoV-2Akhilesh Kumar Maurya, Nidhi MishraJournal of Biomolecular Structure & Dynamics|August 9, 2020
Identification of polyphenols from Broussonetia papyrifera as SARS CoV-2 main protease inhibitors using in silico docking and molecular dynamics simulation approachesRajesh Ghosh, Ayon Chakraborty, Ashis Biswas, et al.Journal of Biomolecular Structure & Dynamics|August 9, 2020
Designing novel epitope-based polyvalent vaccines against herpes simplex virus-1 and 2 exploiting the immunoinformatics approachBishajit Sarkar, Md Asad Ullah, Yusha Araf, et al.Journal of Biomolecular Structure & Dynamics|August 9, 2020
In silico virtual screening, characterization, docking and molecular dynamics studies of crucial SARS-CoV-2 proteinsMeshari Alazmi, Olaa MotwalliPageof 935