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Journal of Molecular Modeling|November 24, 2021
Glycosylation promotes the cancer regulator EGFR-ErbB2 heterodimer formation - molecular dynamics studyZahra Motamedi, Hassan Rajabi-Maham, Maryam Azimzadeh IraniJournal of Molecular Modeling|November 24, 2021
DFT calculation, molecular docking, and molecular dynamics simulation study on substituted phenylacetamide and benzohydrazide derivativesVidyasrilekha Yele, Dilep Kumar Sigalapalli, Srikanth Jupudi, et al.Journal of Molecular Modeling|October 24, 2022
Targeting the DENV NS2B-NS3 protease with active antiviral phytocompounds: structure-based virtual screening, molecular docking and molecular dynamics simulation studiesPriyanka Purohit, Sthitaprajna Sahoo, Madhusmita Panda, et al.Journal of Molecular Modeling|November 3, 2022
Experimental and theoretical investigation into the response to shock wave for booster explosives JO9C, JH14, JH6, and insensitive RDXRui-Qiang Wu, Fu-de Ren, Zhao-Bian Xie, et al.Journal of Molecular Modeling|October 14, 2022
Molecular dynamics investigation of the thermal behaviors of magnesium oxide ceramics at different pressures and temperaturesMahdieh Hadian, Mohammad Reza Nilforoushan, Davood ToghraieJournal of Molecular Modeling|November 1, 2022
Revealing mechanical property-strengthening micro-mechanism of Ni/Ni3Al-based alloys by molecular dynamics simulationJunjie Zhou, Yu Yang, Yinsheng YuJournal of Molecular Modeling|November 2, 2022
Screening the influence of methoxy and anisyl groups to perylene based sensitizers for dye-sensitized solar cell applications: a computational approachD Nicksonsebastin, P Pounraj, N Mani, et al.Journal of Molecular Modeling|November 5, 2022
Computer simulation and modeling the metal to insulating transition of liquid mercury via pair, empirical, and many-body potentialsHedayat KarimiJournal of Molecular Modeling|April 7, 2019
Structure, stability, and electronic properties of niobium-germanium and tantalum-germanium clustersC Siouani, S Mahtout, F RabilloudJournal of Molecular Modeling|October 26, 2022
Carbazole-based donor materials with enhanced photovoltaic parameters for organic solar cells and hole-transport materials for efficient perovskite solar cellsShehla Gul, Shanza Hameed, Muhammad Ans, et al.Pageof 693