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Journal of Biomolecular Structure & Dynamics|March 17, 2025
Characterization of the binding interaction between bovine hemoglobin and riboflavin sodium phosphate: multi-spectroscopic analysis and molecular docking studiesMarzieh Rahimi Ratky, Hamid DezhampanahJournal of Biomolecular Structure & Dynamics|March 14, 2025
Enlightening the multifarious attributes of the Escherichia coli Sap transport system: a computational perspectivePratik Dasgupta, Shankar Prasad KanaujiaJournal of Biomolecular Structure & Dynamics|May 5, 2025
One-pot four-component synthesis of some novel hydrazone-Schiff bases of polyhydroquinoline as potent tyrosinase inhibitors: in vitro, molecular docking and simulations approachesSajjad Ur Rahman, Muhammad Naveed Umar, Aftab Alam, et al.Journal of Biomolecular Structure & Dynamics|April 23, 2025
Nitration at tyrosine 61 residue of Macrophomina phaseolina secretory glucanase brings a conformational change through a lock-unlock mechanismNibedita Ray Chaudhuri, Nilanjan Sinha, Shubhra Ghosh Dastidar, et al.Journal of Biomolecular Structure & Dynamics|April 10, 2025
Identification of potential therapeutics by targeting AcrB protein from AcrAB-TolC multidrug efflux pump of Escherichia coli: an in-silico explorationMohammad H Alqarni, Aftab Alam, Mishary Saad Al Oraby, et al.Journal of Biomolecular Structure & Dynamics|June 16, 2023
Investigation of Zika virus methyl transferase inhibitors using steered molecular dynamicsAli A Rabaan, Bashayer M AlShehail, Muhammad A Halwani, et al.Journal of Biomolecular Structure & Dynamics|June 16, 2023
Network pharmacology and molecular docking-based identification of drug candidates and key targets of Allium sativum for colorectal cancer treatmentOluwatoyin Folake Olukunle, Victor Omoboyede, Prosper Obed ChukwuemekaJournal of Biomolecular Structure & Dynamics|June 16, 2023
One-pot synthesis of polyhydroquinoline-1,2,3-triazole hybrids in deep eutectic solvent as anti-leishmanial agents and molecular modeling studiesSoheila Molaei, Ghazaleh Farhadi, Mina Talezari, et al.Journal of Biomolecular Structure & Dynamics|June 15, 2023
New sulfonamide derivatives based on 1,2,3-triazoles: synthesis, in vitro biological activities and in silico studiesİrfan Şahin, Mustafa Çeşme, Özge Güngör, et al.Journal of Biomolecular Structure & Dynamics|June 15, 2023
Phylogeny and evolution of SARS-CoV-2 during Delta and Omicron variant waves in IndiaUrvashi B Singh, Sushanta Deb, Lata Rani, et al.Pageof 932