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gromacs 2019 software package (Molecular Dynamics Inc)

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Molecular Dynamics Inc gromacs 2019 software package
Gromacs 2019 Software Package, 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/software+package+-plus/2019+6+gromacs/pm42311086-63-8-0
Average 86 stars, based on 1 article reviews

gromacs 2019 software package - by Bioz Stars, 2026-09

86/100 stars

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Mutagenesis:

Article Title: ATP7A-fibulin-4 complex delivers copper in the Golgi to activate LOX in renal fibrosis.
Article Snippet: Molecular dynamics simulations. .. Molecular dynamics simulations were performed using GROMACS 2019.5 to elucidate conformational changes in WT and mutant FBLN4 complexes. ..

Software:

Article Title: Spontaneous Insertion of Aβ42 Dimers but Not Monomers into a Cholesterol-Rich Lipid Bilayer.
Article Snippet: .. The secondary structure of Aβ42 monomers and dimers in the absence and presence of lipids was analyzed using the STRIDE algorithm86 implemented in Visual Molecular Dynamics (VMD) software package.61 For each of the four systems under study (monomers and dimers, each in the absence and presence of lipids), two types of secondary structure were derived: (i) the average coil, strand, turn, and helical content per peptide, and (ii) the average perresidue coil, strand, turn, and helical propensity. ..

Article Title: Hierarchical multi-timescale structural dynamics of the disordered N-terminal of p53.
Article Snippet: .. All simulations were performed using the molecular dynamics (MD) simulation software package GROMACS Version 2019.3112. ..

Article Title: Multiscale Analysis of the Impact of the Isomerization of 4-Amine Tetraortho-Azobenzenes on the Structure and Dynamics of Tubular Micelles.
Article Snippet: .. Molecular dynamics (MD) simulations were performed using the GROMACS 2019 software package, employing the GROMOS 54a7 force field to model interatomic interactions.20,21 Prior to production, all systems underwent energy minimization using the steepest descent algorithm, followed by equilibration under NVT and subsequently NPT conditions for 2 ns each. ..

Derivative Assay:

other:

Article Title: The protective mechanism of Bu-Zhong-Yi-Qi in pelvic organ prolapse is revealed through network pharmacology and molecular docking
Article Snippet: Molecular dynamics simulations were conducted using Gromacs 2019.6 with constant temperature, pressure, and periodic boundary conditions.

Binding Assay:

Article Title: Synergistic Enhancement of Diosgenin Dissolution and Bioavailability via Ternary Solid Dispersions and Self-Assembled Polymeric Micelles
Article Snippet: .. Binding isotherms were fitted by nonlinear least-squares regression to a sequential two-site binding model. Thermodynamic parameters, including the association constant (Ka), dissociation constant (Kd), enthalpy change (ΔH), and entropy change (ΔS), were obtained as best-fit estimates from the model. Molecular Dynamics (MD) Simulation The MD simulations were carried out using Gromacs 2019.6.35 A 10 nm × 10 nm × 10 nm simulation box was randomly filled with 10 Dio molecules, 14 PVP VA64 molecules, and 31 Soluplus molecules. ..