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Journal of Biomolecular Structure & Dynamics|December 19, 2023
Molecular dynamics simulations show how antibodies may rescue HIV-1 mutants incapable of infecting host cellsDharanish Rajendra, Nikhil Maroli, Narendra M Dixit, et al.Journal of Biomolecular Structure & Dynamics|December 19, 2023
3D-QSAR and ADMET studies of morpholino-pyrimidine inhibitors of DprE1 from Mycobacterium tuberculosisSonali Tayal, Vasundhara Singh, Sonika BhatnagarJournal of Biomolecular Structure & Dynamics|December 15, 2023
Detergent induced structural perturbations in peanut agglutinin: insights from spectroscopic and molecular dynamic simulation studiesShreyasi Asthana, Sonali Mohanty, Harshit Kalra, et al.Journal of Biomolecular Structure & Dynamics|December 15, 2023
Studies on 2-((2, 4-dihydroxybenzylidene) amino)-3-phenylpropanoic acid include antimicrobial, antidiabetic, antioxidant, anticancer, hemolysis, and theoretical QSARG K Ayyadurai, R Jayaprakash, A Shajahan, et al.Journal of Biomolecular Structure & Dynamics|December 15, 2023
Strong and selective interactions of palmatine with G-rich sequences in TRF2 promoter; experimental and computational studiesPegah Fazelifar, Anne Cucchiarini, Zahra Khoshbin, et al.Journal of Biomolecular Structure & Dynamics|December 18, 2023
Discussion on the mechanism of Lingguizhugan Decoction in treating hypertension based on network pharmacology and molecular simulation technologyQi Dong, Yu-Jiao Huang, Zhi-Yu Tao, et al.Journal of Biomolecular Structure & Dynamics|December 18, 2023
Computational drug discovery of an inhibitor of APOBEC3B as a treatment for epithelial cancersDominic A Caputa, Quin P Blankenship, Zachary D Smith, et al.Journal of Biomolecular Structure & Dynamics|December 15, 2023
Theoretical characterization and biological activity investigation of indirubins, cyclin dependent kinases inhibitorsKhadidja Adjir, Amina C Berrekhchi-Berrahma, Majda Sekkal-RahalJournal of Biomolecular Structure & Dynamics|December 18, 2023
Investigation of the mutated antimicrobial peptides to inhibit ACE2, TMPRSS2 and GRP78 receptors of SARS-CoV-2 and angiotensin II type 1 receptor (AT1R) as well as controlling COVID-19 diseaseFatemeh Abedi Dorcheh, Negar Balmeh, Seyed Hossein Hejazi, et al.Journal of Biomolecular Structure & Dynamics|December 14, 2023
Identification and characterisation of a novel EhOrc1/Cdc6 from the human pathogen Entamoeba histolytica: an in silico approachSuchetana Pal, Somasri DamPageof 931