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Journal of Biomolecular Structure & Dynamics|July 26, 2022
Structural modelling and in silico pharmacology of β-carboline alkaloids as potent 5-HT1A receptor antagonists and reuptake inhibitorsYusuf Oloruntoyin Ayipo, Waleed A Alananzeh, Iqrar Ahmad, et al.Journal of Biomolecular Structure & Dynamics|July 26, 2022
A strategy to optimize the peptide-based inhibitors against different mutants of the spike protein of SARS-CoV-2Prerna Priya, Abdul Basit, Pradipta BandyopadhyayJournal of Biomolecular Structure & Dynamics|July 23, 2022
Identification of second generation benzylidene chromanone analogues as novel, potent DHODH inhibitors in acute myeloid leukemia cellsMohammad Abohassan, Mesfer Al Shahrani, Prasanna RajagopalanJournal of Biomolecular Structure & Dynamics|July 25, 2022
Evaluation of the dual effects of antiviral drugs on SARS-CoV-2 receptors and the ACE2 receptor using structure-based virtual screening and molecular dynamics simulationHamid Reza Jahantigh, Nahid Ahmadi, Behzad Shahbazi, et al.Journal of Biomolecular Structure & Dynamics|February 3, 2016
Urea-induced denaturation of human calcium/calmodulin-dependent protein kinase IV: a combined spectroscopic and MD simulation studiesHuma Naz, Mohd Shahbaaz, Md Anzarul Haque, et al.Journal of Biomolecular Structure & Dynamics|June 1, 1989
Preliminary crystallographic analysis of a proteolytically modified form of E. coli single stranded DNA binding proteinJ D Ng, A McPhersonJournal of Biomolecular Structure & Dynamics|June 1, 1989
A theoretical study of the aqueous hydration of canonical B d(CGCGAATTCGCG): Monte Carlo simulation and comparison with crystallographic ordered water sitesP S Subramanian, D L BeveridgeJournal of Biomolecular Structure & Dynamics|January 28, 2016
In silico analysis of the effect of mutation on epidermal growth factor receptor in non-small-cell lung carcinoma: from mutational analysis to drug designingFu-Li Zhao, Guang-Hua Yang, Sen Xiang, et al.Journal of Biomolecular Structure & Dynamics|January 7, 2016
Molecular dynamics of sialic acid analogues complex with cholera toxin and DFT optimization of ethylene glycol-mediated zinc nanocluster conjugationD Jeya Sundara Sharmila, J Jino BlessyJournal of Biomolecular Structure & Dynamics|January 29, 2016
Elucidation of structural and functional properties of albumin bound to gold nanoparticlesJessy Mariam, S Sivakami, P M DongrePageof 931