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  • 1-10 ل  1,186 نتائج ل ""Simulations""
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Academic Journal

Design of Potent Inhibitors Targeting the Main Protease of SARS-CoV-2 Using QSAR Modeling, Molecular Docking, and Molecular Dynamics Simulations

Subjects: SARS-CoV-2; main protease; QSAR

  • Source: ISSN: 1424-8247 ; Pharmaceuticals ; https://lilloa.hal.science/hal-04143237 ; Pharmaceuticals, 2023, Pharmaceuticals, 16 (4), pp.608. ⟨10.3390/ph16040608⟩.

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Academic Journal

Hemodynamic characterization of abdominal aortic fusiform aneurysm: insights from computational fluid dynamics simulations

Subjects: Wall shear stress; Flow regimes; Flow recirculation

  • Source: ISSN: 3004-9261 ; Discover Applied Sciences ; https://hal.science/hal-05363736 ; Discover Applied Sciences, 2025, 7 (11), pp.1367. ⟨10.1007/s42452-024-05993-0⟩.

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Academic Journal

Dynamic Thermal Behaviour Characterization Of Integrated Insulation Clay Hollow Blocks For Buildings Energy Simulations Applications

Subjects: dynamic thermal behaviour; in situ tests; guarded hot box

  • Source: ISSN: 2352-7102 ; Journal of Building Engineering ; https://hal.science/hal-03402840 ; Journal of Building Engineering, 2021, 14 (5), pp.515-535. ⟨10.1080/19401493.2021.1975824⟩.

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Academic Journal

Simulations of Ionic Liquids Confined in Surface Functionalized Nanoporous Carbons: Implications for Energy Storage

Subjects: molecular dynamics simulations; ionic liquids; confinement

  • Source: ISSN: 2574-0970 ; ACS Applied Nano Materials ; https://hal.science/hal-03187295 ; ACS Applied Nano Materials, 2021, 4, pp.4007. ⟨10.1021/acsanm.1c00342⟩.

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  • 1-10 ل  1,186 نتائج ل ""Simulations""