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Journal of Biomolecular Structure & Dynamics|August 1, 2023
Investigation of photoluminescence and DNA binding properties of benzimidazole compounds containing benzophenone groupMustafa Bal, Ayşegül Köse, Seyit Ali GüngörJournal of Biomolecular Structure & Dynamics|August 2, 2023
Structure-based virtual screening approach reveals natural multi-target compounds for the development of antimalarial drugs to combat drug resistanceBiswajit Naik, Nidhi Gupta, Priya Godara, et al.Journal of Biomolecular Structure & Dynamics|August 2, 2023
Structure and dynamics of whole-sequence homology model of ORF3a protein of SARS-CoV-2: An insight from microsecond molecular dynamics simulationsShaila Akter, Md Jahirul Islam, Md Ackas Ali, et al.Journal of Biomolecular Structure & Dynamics|August 2, 2023
Novel indenopyrrol-4-one derivatives as potent BRDT inhibitors: synthesis, molecular docking, drug-likeness, ADMET, and DFT studiesDavood Gheidari, Morteza Mehrdad, Mohammad BayatJournal of Biomolecular Structure & Dynamics|August 1, 2023
Structural and dynamic properties of urinary human serum albumin fragments: a molecular dynamics studyChanya Archapraditkul, Kanokwan Janon, Deanpen Japrung, et al.Journal of Biomolecular Structure & Dynamics|August 1, 2023
An in silico molecular docking, ADMET and molecular dynamics simulations studies of azolyl-2H-chroman-4-ones as potential inhibitors against pathogenic fungi and bacteriaK V S Mani Chandrika, Prathyusha VJournal of Biomolecular Structure & Dynamics|July 30, 2023
Explore the underlying oral efficacy of α-, β-, γ-Cyclodextrin against the ulcerative colitis using in vitro and in vivo studies assisted by network pharmacologyWeiqin Wang, Xuefeng Li, Hangyi Wu, et al.Journal of Biomolecular Structure & Dynamics|July 31, 2023
A network pharmacology approach to elucidate the anti-inflammatory effects of ellagic acidSkyler H Hoang, Hue Dao, Emerson My LamJournal of Biomolecular Structure & Dynamics|July 30, 2023
Halogen substituted aurones as potential apoptotic agents: synthesis, anticancer evaluation, molecular docking, ADMET and DFT studySyed Ayaz Nabi, Farhat Ramzan, Mehak Saba Lone, et al.Journal of Biomolecular Structure & Dynamics|July 26, 2023
1-D MOF [Ag2(C10H10N3O3S)2(C4H8N)2]n: photocatalytic treatment, crystallographic evaluation, ADMET parameters, CT-DNA and anticancer activityBhavesh N Socha, Sachin B Pandya, Urmila H Patel, et al.Pageof 932