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Journal of Molecular Graphics & Modelling|August 12, 2022
Structural investigation of pathogenic variants in dihydropyrimidinase using molecular dynamics simulationsKoichi Kato, Tomoki Nakayoshi, Ayuka Nagura, et al.Journal of Molecular Graphics & Modelling|August 12, 2022
Molecular dynamics simulations to study the role of biphenylalanine in promoting the antibacterial activity of ultrashort peptidesLiling Zhao, Lei Liu, Haiyan Li, et al.Journal of Molecular Graphics & Modelling|August 14, 2022
Omicron BA.1 and BA.2 variants increase the interactions of SARS-CoV-2 spike glycoprotein with ACE2Mert Golcuk, Ahmet Yildiz, Mert GurJournal of Molecular Graphics & Modelling|August 17, 2022
In silico study on miRNA regulation and NSs protein interactome characterization of the SFTS virusDwaipayan Chaudhuri, Joyeeta Datta, Satyabrata Majumder, et al.Journal of Molecular Graphics & Modelling|December 11, 2025
Effect of chain length on the structure of aqueous surfactin solutions: Molecular dynamics studiesLoknath Patro, B L BhargavaJournal of Molecular Graphics & Modelling|December 8, 2025
Mechanistic study of the steric effect of Lewis acids AlCl3 and TiBr4 on the asynchronous [4+2] cycloaddition reaction of isoprene with Aryl acid: MEDT studyTarik Boutadghart, Rachida GhailaneJournal of Molecular Graphics & Modelling|December 15, 2025
In silico identification of food-grade cooling compounds targeting TRPM8 and TRPA1: A dual-target approachZhongwei Zhang, Jun Wang, Yu Liu, et al.Journal of Molecular Graphics & Modelling|January 25, 2026
Significantly improved optoelectronic properties of WWC-103 engineered for efficient perovskite solar cells: A DFT approachUmer Yaqoob, Sidra Rafiq, Muhammad Zohaib Sabir, et al.Journal of Molecular Graphics & Modelling|February 4, 2026
Computational assessment of clerodane-type furano-diterpenoids from Tinospora crispa: A potential source for anticancer lead compoundsJuhaer Anjum, Sabiha Enam Spriha, Mir Sabit Hossain, et al.Journal of Molecular Graphics & Modelling|January 16, 2026
Discovery of a novel PI3Kα inhibitor for breast cancer therapy via virtual screening method, molecular dynamics simulation and biological evaluationThitiya Boonma, Bodee Nutho, Phongthon Kanjanasirirat, et al.Pageof 408