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Molecular Dynamics Inc gromacs 2018 33 software 64
Gromacs 2018 33 Software 64, 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/2018+software/2018+gromacs/pm41131665-89-7-0
Average 86 stars, based on 1 article reviews
gromacs 2018 33 software 64 - by Bioz Stars, 2026-09
86/100 stars

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Article Title: SARS-CoV-2 Helicase (NSP13) Interacts with Mammalian Polyamine and HSP Partners in Promoting Viral Replication
Article Snippet: Molecular dynamics (MD) simulations were performed using GROMACS (v2018.6) [ ].

Article Title: Design, characterization, DFT studies, and molecular docking of new benzofuran-pyrazol-acrylamide hybrids as insecticidal agents against Spodoptera littoralis and Tribolium castaneum.
Article Snippet: Molecular dynamics (MD) simulations were conducted to assess the stability and interaction dynamics of protein-ligand complexes using GROMACS 2018 with the CHARMM36 force field for AR TIC LE IN PR ES S protein topology and the CGenFF server (Geoff) for ligand parameters.

Article Title: SARS-CoV-2 peptide fragments selectively dysregulate specific immune cell populations via Gaussian curvature targeting
Article Snippet: Molecular dynamics simulations were performed using GROMACS 2018.3.

Article Title: Design, characterization, DFT studies, and molecular docking of new benzofuran–pyrazol-acrylamide hybrids as insecticidal agents against Spodoptera littoralis and Tribolium castaneum
Article Snippet: Molecular dynamics (MD) simulations were conducted to assess the stability and interaction dynamics of protein-ligand complexes using GROMACS 2018 with the CHARMM36 force field for protein topology and the CGenFF server (Geoff) for ligand parameters.

Article Title: Synergistic effects of new lactone polyketides from an endophytic fungus Phomopsis sp. XP-8 with antibiotics.
Article Snippet: Six new polyketides, including three naphthalene-types (1–3) and three γ-lactones-types (4–6), along with 14 known polyketides (7–20), were isolated from a pathogen endophytic fungus Phomopsis sp. XP-8 of Eucommia ulmoides Oliver.. Their structures were elucidated by spectrometric analysis using MS and NMR data.. The absolute configurations were established using statistical comparative analysis of the experimental ECD data, in conjunction with quantum mechanical calculations.

Article Title: Echinacoside regulates the IRE1/XBP1 signaling pathway through HSP72 to reduce endoplasmic reticulum stress and improve diabetic kidney disease
Article Snippet: Introduction: Diabetic kidney disease (DKD), a predominant driver of end-stage renal disease, intimately linked to endoplasmic reticulum stress.. Echinacoside (Ech), a naturally derived phenylethanoid glycoside, exhibits diverse pharmacological activities; however, its mechanism of action in ameliorating DKD remains unclear.. Objective: To clarify the underlying molecular mechanisms of Ech's therapeutic impact on DKD.

Binding Assay:

Article Title: Unveiling the RAAS-modulating terpenoid, Boerhadiffusene from Boerhavia diffusa L. and further envisage its potential anti-hypertensive activity through in silico and in vitro approaches.
Article Snippet: Hypertension and associated cardiac hypertrophy remain major global health challenges, demanding safer and more effective therapeutic agents.. This study investigates boerhadiffusene, a terpenoid isolated from Boerhavia diffusa L., as a potential antihypertensive and cardioprotective lead molecule by integrating phytochemical purification, computational modeling, and in vitro validation.. Boerhadiffusene was purified and structurally characterized through FT-IR NMR, and HR-MS analyses.

Software:

Article Title: In silico design and characterization of a novel multi-epitope mRNA vaccine candidate against Streptococcus pneumoniae
Article Snippet: .. Molecular dynamics simulations were carried out using the GROMACS 2018 software suite . ..



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