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Journal of Biomolecular Structure & Dynamics|August 11, 2021
Designing Self-Inhibitory fusion peptide analogous to viral spike protein against novel severe acute respiratory syndrome (SARS-CoV-2)Indra Singh, Shalini Singh, Krishna Kumar Ojha, et al.Journal of Biomolecular Structure & Dynamics|May 10, 2021
Identifying and elucidating the roles of Y198N and Y204F mutations in the PAH enzyme through molecular dynamic simulationsTolga Aslan, Aslı Yenenler-Kutlu, Umut Gerlevik, et al.Journal of Biomolecular Structure & Dynamics|May 17, 2021
Protective effects of apigenin against edifenphos-induced genotoxicity and cytotoxicity in rat hepatocytesAjaz Ahmad, Atif Zafar, Seema Zargar, et al.Journal of Biomolecular Structure & Dynamics|May 21, 2021
Molecular dynamics simulation of bioactive compounds of Withania somnifera leaf extract as DNA gyrase inhibitorSartaz Begum, Daniel M Shadrack, Ferister M Joseph, et al.Journal of Biomolecular Structure & Dynamics|May 25, 2021
Virtual screening of quinoline derived library for SARS-COV-2 targeting viral entry and replicationAnju Anju, Shubhra Chaturvedi, Vishakha Chaudhary, et al.Journal of Biomolecular Structure & Dynamics|May 26, 2021
Mutations in passive residues modulate 3D-structure of NDM (New Delhi metallo-β-lactamase) protein that endue in drug resistance: a MD simulation approachRakesh KumarJournal of Biomolecular Structure & Dynamics|August 4, 2021
Flavan-based phytoconstituents inhibit Mpro, a SARS-COV-2 molecular target, in silicoSoham Mukherjee, Deepika Sharma, Ajay Kumar Sharma, et al.Journal of Biomolecular Structure & Dynamics|August 4, 2021
Structure prediction and discovery of inhibitors against phosphopantothenoyl cysteine synthetase of Acinetobacter baumanniiAkshita Gupta, Viswanathan Vijayan, Pradeep Pant, et al.Journal of Biomolecular Structure & Dynamics|July 11, 2025
α-Mangostin conjugated amino acids as estrogen receptor alpha (ERα) inhibitorHanggara Arifian, Rani Maharani, Sandra Megantara, et al.Journal of Biomolecular Structure & Dynamics|July 3, 2025
A comparison of anticoagulant activities of warfarin and its imino-derivatives: in silico molecular docking evaluationImran Ali, Marwa Ghouizi, Khaled Sekkoum, et al.Pageof 935