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Molecular Dynamics Inc gromacs 2024 1 molecular dynamics software package
Gromacs 2024 1 Molecular Dynamics 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/dynamics+software+package/2024+4+gromacs/pm41850140-74-6-8
Average 86 stars, based on 1 article reviews
gromacs 2024 1 molecular dynamics software package - by Bioz Stars, 2026-10
86/100 stars

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Article Title: Puerarin inhibits SiO 2 -induced pulmonary epithelial-mesenchymal transition via suppressing NF-κB activation: Insights from network pharmacology and experiment validation.
Article Snippet: Silicosis is a progressive and irreversible occupational pulmonary fibrotic disease for which no clinically available agents can effectively reverse established fibrosis.. Puerarin (PUE), a natural isoflavonoid, has previously been demonstrated to exert protective effects against silicosis; however, its underlying protective mechanisms remain poorly understood.. In the present study, we integrated network pharmacology, molecular docking, molecular dynamics simulations, and in vitro experiments to elucidate the therapeutic targets and mechanisms of PUE against SiO2-induced pulmonary fibrosis.

Article Title: ROS-sensing transcription factor YchJ regulates RssB-RpoS pathway to protect Salmonella against oxidative attack by macrophages.
Article Snippet: Molecular dynamics (MD) simulations were conducted using GROMACS 2024.4 under periodic boundary conditions in the isothermal–isobaric ensemble.

Article Title: Gallic acid-driven core-shell nanovehicles enable intestinal adhesion and adipose retention for enhanced oral bioavailability of cholecalciferol.
Article Snippet: Molecular dynamics simulations were then conducted using GROMACS 2024 with the GROMOS 54a7 force field.

Software:

Article Title: In situ continuous evolution of native transporter HGT1 unlocks xylose utilization in Kluyveromyces lactis
Article Snippet: .. Molecular dynamics (MD) simulations were conducted using the GROMACS [ ] 2024.3 software package with the Amberff14sb force field, and the solvent environment was described by the TIP3P water model. ..

Solvent:

Article Title: In situ continuous evolution of native transporter HGT1 unlocks xylose utilization in Kluyveromyces lactis
Article Snippet: .. Molecular dynamics (MD) simulations were conducted using the GROMACS [ ] 2024.3 software package with the Amberff14sb force field, and the solvent environment was described by the TIP3P water model. ..



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