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  • 1-10 ل  194 نتائج ل ""molecular dynamics""

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Collection : Archive Ouverte Hal (Hyper Article En Ligne, Ccsd - Centre Pour La Communication Scientifique Directe) Subject : [chim.theo]chemical sciences/theoretical and/or physical chemistry فلترة بواسطة : موضوع
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Book

Interactive Molecular Dynamics ; Dynamique Moléculaire Interactive

Subjects: Interactive Simulations; Molecular Dynamics; Real-time Visualization

  • Source: Comprehensive Computational Chemistry ; https://hal.science/hal-04307111 ; Comprehensive Computational Chemistry, 3, Elsevier, pp.454-474, 2024, ⟨10.1016/B978-0-12-821978-2.00115-X⟩

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Academic Journal

Hydration of biologically relevant tetramethylammonium cation by neutron scattering and molecular dynamics

Subjects: Neutron scattering; Molecular dynamics; [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry

  • Source: ISSN: 1463-9076.

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Report

High-resolution Molecular Dynamics Simulations of the Pyruvate Kinase Muscle Isoform 1 and 2 (PKM1/2)

Subjects: PKM2; AMOEBA force field; Molecular dynamics

  • Source: https://hal.science/hal-04377229 ; 2024.

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Academic Journal

It Takes Tau to Tango: Investigating the Fuzzy Interaction between the R2-Repeat Domain and Tubulin C-Terminal Tails

Subjects: Molecular Dynamics protein interactions tubulin tau disordered proteins; Molecular Dynamics; protein interactions

  • Source: ISSN: 0006-2960.

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Academic Journal

Martini 3 Coarse-Grained Force Field for Cholesterol

Subjects: Martini 3 Cholesterol Membrane simulations Molecular dynamics; Martini 3; Cholesterol

  • Source: ISSN: 1549-9618.

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Academic Journal

Plasma degradation of water organic pollutants: Ab-initio molecular dynamics simulations and experiments

Subjects: reactive molecular dynamics; ab-initio molecular dynamics; cold atmospheric plasma

  • Source: ISSN: 1612-8850.

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Conference

Molecular-scale studies of organic aerosols : from the formation of aerosol precursors to the characterization of the aerosol interactions with surrounding water molecules.

Subjects: organic aerosol; Modeling & Simulation; DFTLyon; France

  • Source: Goldschmidt 2023 Abstracts ; Goldschmidt 2023 Conference ; https://hal.science/hal-04384130 ; Goldschmidt 2023 Conference, European Association of Geochemistry and the Geochemical Society, Jul 2023,

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Report

Dissecting Key Multivalent Processes in Glycosidase Inhibition: Insights from Thermodynamic Modelling and Atomistic Simulations

Subjects: multivalency multivalent inhibitory effect thermodynamic modelling molecular dynamics; multivalency; multivalent inhibitory effect

  • Source: https://hal.science/hal-04325646 ; 2023.

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Academic Journal

Quasi-classical simulations of resonance Raman spectra based on path integral linearization

Subjects: Resonant Raman Spectrum -Molecular Dynamics -Path Integral -Linearization; [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry

  • Source: ISSN: 0021-9606.

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Academic Journal

Conformational and mechanical stability of the isolated large subunit of membrane-bound [NiFe]-hydrogenase from Cupriavidus necator

Subjects: hydrogenase; molecular modelling; Gaussian accelerated molecular dynamics

  • Source: ISSN: 1664-302X.

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  • 1-10 ل  194 نتائج ل ""molecular dynamics""