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Journal of Molecular Graphics & Modelling|November 22, 2023
Understanding the performance of RHO type zeolite membrane for CH4/N2 separation based on molecular dynamics and deep neural network methodsFatemeh Ghasemi, Mahdi Alizadeh, Jafar Azamat, et al.Journal of Molecular Graphics & Modelling|November 20, 2023
Optimizing biodegradable plastics: Molecular dynamics insights into starch plasticization with glycerol and oleic acidDiana Margarita Mojica-Muñoz, Karla Lizbeth Macías-Sánchez, Estefanía Odemaris Juárez-Hernández, et al.Journal of Molecular Graphics & Modelling|November 20, 2023
Understanding the contagiousness of Covid-19 strains: A geometric approachPaola Vottero, Elena Carlotta Olivetti, Lucia Chiara D'Agostino, et al.Journal of Molecular Graphics & Modelling|November 6, 2023
Theoretical investigation of asphaltene molecules in crude oil viscoelasticity enhancementPeng Cui, Shideng Yuan, Heng Zhang, et al.Journal of Molecular Graphics & Modelling|November 17, 2023
A fragment-based exploration of diverse MMP-9 inhibitors through classification-dependent structural assessmentSandip Kumar Baidya, Suvankar Banerjee, Balaram Ghosh, et al.Journal of Molecular Graphics & Modelling|November 10, 2023
A computational insight into enhancement of photovoltaic properties of non-fullerene acceptors by end-group modulations in the structural framework of INPIC moleculeHira Zubair, Muhamed Salim Akhter, Muhammad Waqas, et al.Journal of Molecular Graphics & Modelling|November 8, 2023
Topological structures of DNA octahedrons determined by the number of ssDNA strandsYufan Lu, Xingmin Guo, Shuya LiuJournal of Molecular Graphics & Modelling|September 9, 2023
A DFT study of ethanol interaction with the bimetallic clusters of PtSn and its implications on reactivityGraziela N Radael, Gabriel G Oliveira, Rodrigo M PontesJournal of Molecular Graphics & Modelling|August 8, 2023
Ab initio and comparative 3D modeling of FAM222A-encoded protein and target-driven-based virtual screening for the identification of novel therapeutics against Alzheimer's diseaseZeyad Tareq Jasim Alabdulraheem, Serdar DurdagiJournal of Molecular Graphics & Modelling|August 5, 2023
Investigation of the stability of organic-inorganic halide perovskite thin films: Insight from experimental and simulationSié Georges Hien, Amal Bouich, Boko Aka, et al.Pageof 400