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Journal of Molecular Graphics & Modelling|June 15, 2026
Achieving controllable structure stability and enhanced hydrogen storage performance of LiGaH4: A rational design approach for the development of stable hydridesMubashar Ali, Toheed Akhter, Aboud Ahmed Awadh BahajjajJournal of Molecular Graphics & Modelling|June 17, 2026
A novel descriptor of molecular graphs and its implications in QSPR studies of antiviral drugsMunazza Malik, Sadia NoureenJournal of Molecular Graphics & Modelling|July 3, 2026
In Silico identification of natural and synthetic inhibitors targeting KRAS mutants (G12D, G12V, and G12C) and wild-type in pancreatic cancerHemantha Mani Kumar Chakravarthi Chanda, Sudheer Kumar KatariJournal of Molecular Graphics & Modelling|July 7, 2026
Artificial intelligence-assisted QSAR modeling of phenolic monoterpenes targeting Helicobacter pyloriStrahinja Kovačević, Simone Carradori, Damiano Iacovozzi, et al.Journal of Molecular Graphics & Modelling|July 9, 2026
Discovery of potential TMPRSS2 inhibitors using integrated computational and experimental screeningHuiru Xie, Qibo Hu, Qiuhong Zhang, et al.Journal of Molecular Graphics & Modelling|July 11, 2026
Understanding the interaction and binding affinity of IL-2 with the receptors IL-2Rα, IL-2Rβ and IL-2Rγc controls the signal transductionArchana Chinnamadhu, Kumaradhas Poomani, Saravanan KandasamyJournal of Molecular Graphics & Modelling|July 24, 2026
Benzothiadiazole as a strategic central core or a better terminal acceptor for enhanced nonlinear optical and photovoltaic propertiesShabbir Muhammad, Adan Ahmad, Kainat Maryam, et al.Journal of Molecular Graphics & Modelling|July 27, 2026
Cooperative roles of W882 and W996 in state-dependent dantrolene stabilization within the RyR1 P1 domainPanisak Boonamnaj, Panyakorn Taweechat, Pisit Lerttanakij, et al.Journal of Molecular Graphics & Modelling|January 19, 2010
Molecular modeling of Helicobacter pylori arginase and the inhibitor coordination interactionsHoma Azizian, Homayoon Bahrami, Parvin Pasalar, et al.Journal of Molecular Graphics & Modelling|February 8, 2018
A detailed hydrogen bonding analysis on the compositions of H2SO4/HNO3/H2O ternary systems: A computational studyF Mine Balcı, Nevin Uras-AytemizPageof 407