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Journal of Biomolecular Structure & Dynamics|October 28, 2023
Exploration of efficacy, cellular responses, and safety profile of novel 9-(3-Pyridyl) noscapine derivatives as promising anticancer candidatesShruti Gamya Dash, Srinivas Kantevari, Pradeep Kumar NaikJournal of Biomolecular Structure & Dynamics|October 28, 2023
Computational identification and exploration of novel FGFR tyrosine kinase inhibitors for the treatment of cholangiocarcinomaAmanpreet Kaur, Debasish MandalJournal of Biomolecular Structure & Dynamics|October 28, 2023
Unraveling bioactive metabolites of mangroves as putative inhibitors of SARS-CoV-2 Mpro and RBD proteins: molecular dynamics and ADMET analysisRamasamy Ramasubburayan, Karteek Rao Amperayani, Govinda Varadhi, et al.Journal of Biomolecular Structure & Dynamics|October 28, 2023
Novel N-acylsulfonamides: Synthesis, in silico prediction, molecular docking dynamic simulation, antimicrobial and anti-inflammatory activitiesAli Dekir, Malika Berredjem, Chahrazed Benzaid, et al.Journal of Biomolecular Structure & Dynamics|October 26, 2023
Computational design of scFv anti-receptor binding domain of SARS-CoV-2 spike protein based on antibody S230 anti-SARS-CoV-1Ade R R Firdaus, Umi Baroroh, Taufik Ramdani Tohari, et al.Journal of Biomolecular Structure & Dynamics|November 17, 2023
Insight to phytochemical investigation and anti-hyperlipidemic effects of Eucalyptus camaldulensis leaf extract using in vitro, in vivo and in silico approachHafiza Arbab Hussain, Muhammad Islam, Hamid Saeed, et al.Journal of Biomolecular Structure & Dynamics|November 17, 2023
Expanding the therapeutic arsenal against cancer: a computational investigation of hybrid xanthone derivatives as selective Topoisomerase 2α ATPase inhibitorsUrvashee Gogoi, Neelutpal Gogoi, Sanchaita Rajkhowa, et al.Journal of Biomolecular Structure & Dynamics|November 18, 2023
Antimicrobial activity prediction, inter- and intramolecular charge transfer investigation, reactivity analysis and molecular docking studies of adenine derivativesC Geetha Priya, B R Venkatraman, I Arockiaraj, et al.Journal of Biomolecular Structure & Dynamics|November 15, 2023
Hemagglutinin 3 and 8 can be the most efficient influenza subtypes for human host invasion; a comparative in silico approachMohammed Baqur S Al-Shuhaib, Sarfaraz Alam, Salman Ali Khan, et al.Journal of Biomolecular Structure & Dynamics|November 15, 2023
Molecular modelling studies of substituted indole derivatives as novel influenza a virus inhibitorsMustapha Abdullahi, Adamu Uzairu, Gideon Adamu Shallangwa, et al.Pageof 935