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  • 1-10 ل  24 نتائج ل ""Molecular Dynamics Simulation""

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Collection : Aix-Marseille Universite
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Academic Journal

In vitro antitumor activity, molecular dynamics simulation, DFT study, ADME prediction, and Eg5 binding of enastron analogues

Subjects: [CHIM]Chemical Sciences

  • Source: EISSN: 2046-2069 ; RSC Advances ; https://amu.hal.science/hal-04145687 ; RSC Advances, 2023, 13 (28), pp.19567-19584. ⟨10.1039/d3ra02904b⟩

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Academic Journal

In Silico Study of Selected Natural Products as SARS-CoV-2 M Pro Binder: Molecular Docking and Molecular Dynamics Simulation

Subjects: SARS-CoV-2 M Pro; inhibition; molecular docking

  • Source: ISSN: 1040-6638.

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Academic Journal

Tracking Ionic Rearrangements and Interpreting Dynamic Volumetric Changes in Two-Dimensional Metal Carbide Supercapacitors: A Molecular Dynamics Simulation Study

Subjects: Ionic liquids; Molecular dynamics; Nanopores

  • Source: ISSN: 1864-5631.

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Academic Journal

Structural Basis of Botulinum Toxin Type F Binding to Glycosylated Human SV2A: In Silico Studies at the Periphery of a Lipid Raft

Subjects: molecular modeling gangliosides botulinum neurotoxin SV2 receptor structural biology molecular dynamics simulation lipid raft; molecular modeling; gangliosides

  • Source: ISSN: 2218-273X ; Biomolecules ; https://hal.science/hal-04445366 ; Biomolecules, 2022, 12 (12), pp.1821. ⟨10.3390/biom12121821⟩.

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Academic Journal

Plastic deformations of ceria nanocubes under compression: An atomistic simulations study

Subjects: Nanoparticles; Cerium Oxide; Plasticity

  • Source: ISSN: 2589-1529 ; Materialia ; https://hal.science/hal-04151934 ; Materialia, 2023, 30, pp.101824. ⟨10.1016/j.mtla.2023.101824⟩.

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Academic Journal

Molecular dynamics simulation for modeling plasma spectroscopy.

Subjects: [PHYS.PHYS.PHYS-PLASM-PH]Physics [physics]/Physics [physics]/Plasma Physics [physics.plasm-ph]

  • Source: ISSN: 0305-4470.

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Academic Journal

Lipid perturbation by membrane proteins and the lipophobic effect

Subjects: molecular dynamics simulation; lipid structure; biological membranes

  • Source: ISSN: 0005-2736 ; EISSN: 1879-2642.

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Academic Journal

Multi-scale modelling of supercapacitors:From molecular simulations to a transmission line model

Subjects: Supercapacitors; Molecular dynamics simulation; Porous materials

  • Source: ISSN: 0378-7753.

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Academic Journal

Study of charge-charge coupling effects on dipole emitter relaxation within a classical electron-ion plasma description

Subjects: Molecular Dynamics simulation; line shapes; charge-charge correlation effects in plasmas

  • Source: ISSN: 1539-3755 ; EISSN: 1550-2376.

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Academic Journal

High-speed force spectroscopy unfolds titin at the velocity of molecular dynamics simulations. ; High-speed force spectroscopy unfolds titin at the velocity of molecular dynamics simulations.: Experiment meets simulation: HS-FS

Subjects: single molecules; high-speed atomic force microscopy; force spectroscopy

  • Source: ISSN: 0036-8075.

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  • 1-10 ل  24 نتائج ل ""Molecular Dynamics Simulation""