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Molecular Dynamics Inc atomistic molecular dynamics
Atomistic Molecular Dynamics, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/simulation/atomistic+dynamics+molecular+simulations/pm41842908-8-60-61
Average 86 stars, based on 1 article reviews
atomistic molecular dynamics - by Bioz Stars, 2026-11
86/100 stars

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Related Articles

other:

Article Title: Intramolecular bonding as a design strategy for robust intermolecular binding of oligomers.
Article Snippet: Atomistic Molecular Dynamics (MD).

Article Title: Beyond the Bilayer: Organization and Interactions in the Arabidopsis thaliana Cell Wall-Plasma Membrane System in Atomistic Simulations.
Article Snippet: Atomistic studies of plant cell surfaces have typically focused either on plasma membranes or on individual cell wall polymers, such as cellulose and hemicellulose, rather than on combined plasma membrane−cell wall models.. Here, we present an atomistic model of the Arabidopsis thaliana cell membrane that explicitly includes both the plasma membrane and the primary cell wall.. Simulations reveal that cell wall interactions thin the plasma membrane, especially in the upper leaflet facing the wall, increase lipid area per molecule, and increase the acyl chain disorder.

Nuclear Magnetic Resonance:

Article Title: Resolving liquid-to-glass transitions of water under soft nanoconfinement.
Article Snippet: c, Lattice size and phase symmetry (Ia3d, L2 + Lα, Lα) for 7.5 and 15.0 wt% H2O in phytantriol as a function of temperature during the cooling and heating cycle derived from Bragg reflections as shown in a and b and described in Methods. .. Inset, example of the spectral fit showing the stretching mode of water (green), Debye relaxation (red), libration mode (brown), experimental data (blue) and the total fit (black). c, Thermal evolution of the 2H NMR quadrupolar coupling constant (CQ) in 8.3 wt% D2O in phytantriol. d, Water state percentages in 8.3 wt% D2O in phytantriol derived from the CQ value analysis in c. e, MSD∥ of H2O in a system of 10.0 wt% H2O in phytantriol obtained from atomistic molecular dynamics simulation at temperatures ranging from −3 to −83 °C in 10 °C increments. ..

Derivative Assay:

Article Title: Resolving liquid-to-glass transitions of water under soft nanoconfinement.
Article Snippet: c, Lattice size and phase symmetry (Ia3d, L2 + Lα, Lα) for 7.5 and 15.0 wt% H2O in phytantriol as a function of temperature during the cooling and heating cycle derived from Bragg reflections as shown in a and b and described in Methods. .. Inset, example of the spectral fit showing the stretching mode of water (green), Debye relaxation (red), libration mode (brown), experimental data (blue) and the total fit (black). c, Thermal evolution of the 2H NMR quadrupolar coupling constant (CQ) in 8.3 wt% D2O in phytantriol. d, Water state percentages in 8.3 wt% D2O in phytantriol derived from the CQ value analysis in c. e, MSD∥ of H2O in a system of 10.0 wt% H2O in phytantriol obtained from atomistic molecular dynamics simulation at temperatures ranging from −3 to −83 °C in 10 °C increments. ..

Binding Assay:

Article Title: Dynamic mechanism for subtype selectivity of endocannabinoids
Article Snippet: .. Approximately ∼ 423 and 483 μ s of atomistic molecular dynamics simulations were performed for CB 1 and CB 2 to capture the anandamide binding. ..



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