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Journal of Biomolecular Structure & Dynamics|December 1, 2023
Probable targets and mechanism of ginsenoside Rg1 for non-alcoholic fatty liver disease: a study integrating network pharmacology, molecular docking, and molecular dynamics simulationDanni Wang, Jia Zhang, Haifeng Dai, et al.Journal of Biomolecular Structure & Dynamics|November 18, 2023
Identification of synthetically tractable MERS-CoV main protease inhibitors using structure-based virtual screening and molecular dynamics potential of mean force (PMF) calculationsShailesh Mani Tripathi, Shopnil Akash, Md Anisur Rahman, et al.Journal of Biomolecular Structure & Dynamics|November 16, 2023
Plasmepsin II inhibitory potential of phytochemicals isolated from African antimalarial plants: a computational approachKolade O Faloye, Manish Kumar Tripathi, Emmanuel G Fakola, et al.Journal of Biomolecular Structure & Dynamics|November 20, 2023
Structural insights into ACE2 interactions and immune activation of SARS-CoV-2 and its variants: an in-silico studySarina Yousefbeigi, Farah MarsusiJournal of Biomolecular Structure & Dynamics|November 17, 2023
In vitro and in silico guided identification of antimalarial phytoconstituent(s) in the root of Citrus maxima (Burm.) MerrNeelutpal Gogoi, Mithun Rudrapal, Ismail Celik, et al.Journal of Biomolecular Structure & Dynamics|November 16, 2023
Effects of alcohol concentration and temperature on the dynamics and stability of mutant Staphylococcal lipaseShir Nee Ong, Nor Hafizah Ahmad Kamarudin, Fairolniza Mohd Shariff, et al.Journal of Biomolecular Structure & Dynamics|November 20, 2023
Albumin from sera of rheumatoid arthritis patients share multiple biochemical, biophysical and immunological properties with in vitro generated glyco-nitro-oxidized-albuminAkhlas Tarannum, Zarina Arif, Mohd Mustafa, et al.Journal of Biomolecular Structure & Dynamics|November 20, 2023
Novel triazole bridged quinoline-anthracene derivatives: synthesis, characterization, molecular docking, evaluation of electronic and enzyme inhibitory propertiesAyşegül Gümüş, Nastaran Sadeghian, Morteza Sadeghi, et al.Journal of Biomolecular Structure & Dynamics|November 16, 2023
A novel synthetic peptide analog enhanced antibacterial activity of the frog-derived skin peptide wuchuanin-A1Rizki Amalia Putri, Muhammad Saifur Rohman, Respati Tri Swasono, et al.Journal of Biomolecular Structure & Dynamics|November 16, 2023
Interaction between the antioxidant compound safranal and α-chymotrypsin in spectroscopic fields and molecular modeling approachesSeyedeh Zohreh Vahedi, Sadegh Farhadian, Behzad Shareghi, et al.Pageof 931