molecular dynamics simulation software (Molecular Dynamics Inc)
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Molecular Dynamics Simulation Software, 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/molecular+dynamics+simulation+software/dynamics+molecular+simulation+software/pmc12612657-297-12-12
Average 86 stars, based on 1 article reviews
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1) Product Images from "Dihydroalterperylenol from endophytic fungus Alternaria semiverrucosa and its antitumour activity uncovered by transcriptome analysis, molecular docking and molecular dynamics simulations"
Article Title: Dihydroalterperylenol from endophytic fungus Alternaria semiverrucosa and its antitumour activity uncovered by transcriptome analysis, molecular docking and molecular dynamics simulations
Journal: Molecular Medicine Reports
doi: 10.3892/mmr.2025.13740
Figure Legend Snippet: Results of molecular dynamics simulation. (A) RMSD variation curve; (B) fluctuation of amino acid residues; (C) Rg curve; (D) SASA fluctuation curve; (E) Number of H bonds. RMSD, root mean square deviation; RMSF, root mean square fluctuation; Rg, gyration; SASA, solvent-accessible surface area; H-bonds, hydrogen bonds.
Techniques Used: Solvent
Figure Legend Snippet: Molecular dynamics simulation energy analysis. (A) Energy contribution of each amino acid residue in the protein-ligand complex (BMP2-1rew); (B) Total binding energy of the protein-ligand complex (BMP2-1rew); (C) Energy contribution of each amino acid residue in the protein-ligand complex (ID1-6mgn); (D) Total binding energy of the protein-ligand complex (ID1-6mgn); (E) Energy contribution of each amino acid residue in the protein-ligand complex (TGIF2-2dmn); (F) Total binding energy of the protein-ligand complex (TGIF2-2dmn).
Techniques Used: Residue, Binding Assay
Figure Legend Snippet: Free energy landscape of molecular dynamics simulation. (A) BMP2-1rew; (B) ID1-6mgn and (C) TGIF2-2dmn. RMSD, root mean square deviation
Techniques Used:
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