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Journal of Biomolecular Structure & Dynamics|January 9, 2024
Development of new benzil-hydrazone derivatives as anticholinesterase inhibitors: synthesis, X-ray analysis, DFT study and in vitro/in silico evaluationAbdelkader Tabbiche, Abdelaziz Bouchama, Khadidja Fadli, et al.Journal of Biomolecular Structure & Dynamics|January 10, 2024
In silico and in vitro studies: investigating the chemical composition, DFT, molecular docking, and dynamic simulation of Satureja candidissima (Munby) Briq essential oil as a potential antibacterial agentAinayat Ellah Saidi, Nebia Bouzidi, Mohammed Ziane, et al.Journal of Biomolecular Structure & Dynamics|December 26, 2023
Underlying features for the enhanced electrostatic strength of the extremophilic malate dehydrogenase interface salt-bridge compared to the mesophilic oneChittran Roy, Rifat Nawaz Ul Islam, Sahini Banerjee, et al.Journal of Biomolecular Structure & Dynamics|January 5, 2024
Comprehending conformational changes in EmrE, multidrug transporter at different pH: insights from molecular dynamics simulationsManpreet Kaur, Preeti Arya, Stanzin Chosyang, et al.Journal of Biomolecular Structure & Dynamics|January 4, 2024
Screening and unveiling antibacterial mechanism of dandelion phenolic extracts against Staphylococcus aureus by inhibiting intracellular Na+-K+ ATPase based on molecular docking and molecular dynamics simulationXuefeng Xu, Xiang Wang, Pujun XieJournal of Biomolecular Structure & Dynamics|January 2, 2024
Molecular docking, molecular dynamics simulation, and MM/PBSA analysis of ginger phytocompounds as a potential inhibitor of AcrB for treating multidrug-resistant Klebsiella pneumoniae infectionsMaheswata Sahoo, Dibyajyoti Uttameswar Behera, Mahendra Gaur, et al.Journal of Biomolecular Structure & Dynamics|January 4, 2024
Genetic variants and haplotype structures of miRNA host genes in cancer and obesityMorteza GholamiJournal of Biomolecular Structure & Dynamics|January 4, 2024
Exploring antibiofilm potential of some new imidazole analogs against C. albicans: synthesis, antifungal activity, molecular docking and molecular dynamics studiesShahebaaz K Pathan, Amruta Shelar, Satish Deshmukh, et al.Journal of Biomolecular Structure & Dynamics|January 4, 2024
Investigation and drug design for novel molecules from natural products as inhibitors for controlling multiple myeloma disease using in-silico toolsAli Zari, Lina A F Kurdi, Fatima A Jaber, et al.Journal of Biomolecular Structure & Dynamics|January 4, 2024
Natural sapogenins as potential inhibitors of aquaporins for targeted cancer therapy: computational insights into binding and inhibition mechanismModhi O Alotaibi, Nahaa M Alotaibi, Maha Abdullah Alwaili, et al.Pageof 935