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Journal of Biomolecular Structure & Dynamics|February 8, 2023
Structural analysis and ensemble docking revealed the binding modes of selected progesterone receptor modulatorsF Saritha, N Aiswarya, R Aswath Kumar, et al.Journal of Biomolecular Structure & Dynamics|February 10, 2023
LCN2-Fungal siderophore-iron binding and uptake leads to oxidative stress and cell death in hepatocellular carcinoma cell line HepG2Azmi Khan, Ashutosh Singh, Pratika Singh, et al.Journal of Biomolecular Structure & Dynamics|February 10, 2023
Discovery of AcrAB-TolC pump inhibitors: Virtual screening and molecular dynamics simulation approachThien-Vy Phan, Vu-Thuy-Vy Nguyen, Cao-Hoang-Hao Nguyen, et al.Journal of Biomolecular Structure & Dynamics|February 14, 2023
Virtual screening of bioactive anti-SARS-CoV natural products and identification of 3β,12-diacetoxyabieta-6,8,11,13-tetraene as a potential inhibitor of SARS-CoV-2 virus and its infection related pathways by MD simulation and network pharmacologyA K M Moyeenul Huq, Miah Roney, Syahrul Imran, et al.Journal of Biomolecular Structure & Dynamics|February 21, 2023
Structural organization of RDGB (retinal degeneration B), a multi-domain lipid transfer protein: a molecular modelling and simulation based approachHarini Krishnan, Bishal Basak, Vaisaly R Nath, et al.Journal of Biomolecular Structure & Dynamics|February 21, 2023
Molecular docking and dynamics supported investigation of antiviral activity of Lichen metabolites of Roccella montagnei: an in silico and in vitro studyNishanth B Bhat, Subham Das, Balireddy V S Sridevi, et al.Journal of Biomolecular Structure & Dynamics|February 23, 2023
Venetoclax analogs as promising anticancer therapeutics via targeting Bcl-2 protein: in-silico drug discovery studyNahlah Makki Almansour, Khaled S Allemailem, Abeer Abas Abd El Aty, et al.Journal of Biomolecular Structure & Dynamics|February 24, 2023
In silico target specific design of potential quinazoline-based anti-NSCLC agentsElaheh Mohammadnejadi, Nima Razzaghi-AslJournal of Biomolecular Structure & Dynamics|March 12, 2023
A comparative analysis of daunorubicin and its metabolite daunorubicinol interaction with apoptotic and drug resistance proteins using in silico approachAjit Kumar Rai, Neeraj Kumar SatijaJournal of Biomolecular Structure & Dynamics|March 11, 2023
Lawsonia inermis flower aqueous extract expressed better anti-alpha-glucosidase and anti-acetylcholinesterase activity and their molecular dynamicsIsmail Shahanaj, Jaganathan Ramakrishnan, Kumaradhas Poomani, et al.Pageof 932