Both A1 and A2 compound’s properties determined via MD simulation such as intramolecular Hydrogen Bonds (intraHB), RMSD, Molecular Surface Area (MolSA), Radius of Gyration (rGyr), Polar Surface Area (PSA), Solvent Accessible Surface Area (SASA) fluctuated near equilibrated state confirm stability of both ligands.
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https://figshare.com/articles/dataset/Both_A1_and_A2_compound_s_properties_determined_via_MD_simulation_such_as_intramolecular_Hydrogen_Bonds_intraHB_RMSD_Molecular_Surface_Area_MolSA_Radius_of_Gyration_rGyr_Polar_Surface_Area_PSA_Solvent_Accessible_Surface_Area_SASA_fluctuated/24578554
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Both A1 and A2 compound’s properties determined via MD simulation such as intramolecular Hydrogen Bonds (intraHB), RMSD, Molecular Surface Area (MolSA), Radius of Gyration (rGyr), Polar Surface Area (PSA), Solvent Accessible Surface Area (SASA) fluctuated near equilibrated state confirm stability of both ligands.
创建时间：
2023-11-16
