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Components of binding free energy (in kcal/mol) of MDM2 with p53 peptide.

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https://figshare.com/articles/dataset/_Components_of_binding_free_energy_in_kcal_mol_of_MDM2_with_p53_peptide_/393220
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资源简介:
Electrostatic energy (ELE); van der Waals contribution (VDW); total gas phase energy (GAS); nonpolar contribution to the solvation free energy (GBSUR); the electrostatic contribution to the solvation free energy (GB); sum of nonpolar and polar contributions to solvation (GBSOL); sum of the electrostatic solvation free energy and MM electrostatic energy (GBELE); final estimated binding free energy (GBTOT); translational energy (TSTRA); rotational energy (TSROT); vibrational energy (TSVIB), total entropic contribution (TSTOT); binding free energy (ΔGbind).
创建时间:
2011-10-19
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