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Journal of Molecular Graphics & Modelling|May 22, 2021
Adsorption study of lac dyes with chitosan coated on silk fibroin using molecular dynamics simulationsAunlika Chimprasit, Supa Hannongbua, Patchreenart SaparpakornJournal of Molecular Graphics & Modelling|July 5, 2025
In silico development of a broad-spectrum vaccine against ESKAPE pathogensMario González-Cruz, Abraham Reyes-Gastellou, Juan Arturo Castelán-Vega, et al.Journal of Molecular Graphics & Modelling|July 4, 2025
Computational study of toluene capture by imidazolium-based ionic liquids paired with acetate, tetrafluoroborate and hexafluorophosphate anionsArmaghan Ahmadi, Morteza ZareJournal of Molecular Graphics & Modelling|June 21, 2025
Structure-property analysis of dithienopyrrole-based D-π-A-π-D compounds: Electronic and nonlinear optical responses with advanced python-based visualizationsKamal Ziadi, Abdellatif Aouragh, Abdelatif MessaoudiJournal of Molecular Graphics & Modelling|December 17, 2025
A computational study integrating antiviral peptide mediated inhibition of trafficking complex in Sesbania Mosaic VirusJyotilipsa Mohanty, Ayaluru MuraliJournal of Molecular Graphics & Modelling|December 25, 2025
Theoretical study of graphenylene -like boron phosphide monolayer as an encouraging anode electrode material for Ca-ion batteriesQamar Abuhassan, Ahmed Aldulaimi, Omayma Salim Waleed, et al.Journal of Molecular Graphics & Modelling|December 11, 2025
Charge distribution defines the mechanism of fish gelatin-polysaccharide interactionsElena Ermakova, Yuriy ZuevJournal of Molecular Graphics & Modelling|December 9, 2025
Identification of structural fragments and field point-based design of novel p38α MAPK inhibitor: Integrating 2D and 3D-QSAR models with advanced in-silico techniquesSaurabh Gupta, Yogita BansalJournal of Molecular Graphics & Modelling|December 5, 2025
Computational investigation of high Curie temperature, magnetic anisotropy and optical properties of new Zr based half-Heusler compoundsR Rajeswara Palanichamy, A Amudhavalli, R Meenakshi, et al.Journal of Molecular Graphics & Modelling|December 4, 2025
Fluorine-activated and -directed allene cycloadditions with nitrile oxide: Exploration of selectivities, reactivities, energetic aspects, and molecular mechanismMousa Soleymani, Mahdieh GoudarziPageof 408