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Journal of Molecular Graphics & Modelling|March 29, 2008
3D-QSAR and molecular docking studies of 1,3,5-triazene-2,4-diamine derivatives against r-RNA: novel bacterial translation inhibitorsY Nataraja Sekhar, M Ravi Shashi Nayana, N Sivakumari, et al.Journal of Molecular Graphics & Modelling|March 25, 2008
Nanosecond molecular dynamics simulations of Cdc25B and its complex with a 1,4-naphthoquinone inhibitor: implications for rational inhibitor designSungmin Ko, Woojin Lee, Sangyoub Lee, et al.Journal of Molecular Graphics & Modelling|April 3, 2025
Electronic analysis of 1-ethyl-3-methyl imidazolium halide adsorption on AlN nanoflakesJabir H Al-Fahemi, Kamal A SolimanJournal of Molecular Graphics & Modelling|April 5, 2025
Biomolecular conformational changes and transient druggable binding sites through full-length AMPK molecular dynamics simulationsGuilherme Eduardo Martins Mendes, Artur Rodrigues Maio, Glenda da Silva Rodrigues de Oliveira, et al.Journal of Molecular Graphics & Modelling|April 14, 2025
Drug delivery mechanism of isoniazid drug on Tetragonal aluminum nitride by DFT studyHeba Nawfal Al Araji, Ehab Yassen Theab, Shirin Shomurotova, et al.Journal of Molecular Graphics & Modelling|April 5, 2025
Optimizing nonlinear optical and photovoltaic performance in butterfly-shaped carbazole vs. borole derivatives: An implicit and explicit solvents-driven approachSaliha Fatima, Shabbir Muhammad, Muhammad Adnan, et al.Journal of Molecular Graphics & Modelling|April 30, 2025
Unveiling charge transfer kinetics and static-dynamic nonlinear optical switching in 2-phenylthiophene push-pull chromophores: DFT-based theoretical modelling for enhanced harmonic generation and electro-optic applicationsSehar Nadeem, Abida Anwar, Muhammad Usman Khan, et al.Journal of Molecular Graphics & Modelling|April 24, 2025
How a mixture of urinary human serum albumin fragments survives in urine-mimicking pH conditions: Simulation studiesChanya Archapraditkul, Deanpen Japrung, Prapasiri PongprayoonJournal of Molecular Graphics & Modelling|April 17, 2025
Interpretable machine learning and graph attention network based model for predicting PAMPA permeabilityUpashya Parasar, Orchid Baruah, Debasish Saikia, et al.Journal of Molecular Graphics & Modelling|April 15, 2025
Delivery of cisplatin confined into pure and doped C240 fullerene: A molecular dynamics simulation studyMohammad Javad Soleymani, Mohsen Abbaspour, Hamed Akbarzadeh, et al.Pageof 401