The binding free energy of EhSAT1 and EhSAT3 complexes.
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https://figshare.com/articles/dataset/_The_binding_free_energy_of_EhSAT1_and_EhSAT3_complexes_/665581
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资源简介：
The table shows the detailed contribution of energy components calculated using Poisson Boltzmann Surface Area (MM-PBSA) method for EhSAT1, EhSAT3 and their mutants to evaluate their binding activity. Here ΔEEle, electrostatic interactions; ΔEVdw, van der Waals interactions, ΔEMM = ΔE Ele+ΔEVdw, ΔGsol-ele: polar solvation free energy are calculated by solving the Poisson-Boltzmann equation PB; ΔGsol-np, non-polar solvation free energy, ΔGpolar = ΔE Ele+ΔGsol-ele; ΔGnonpolar = ΔEVdw+ΔGsol-np, ΔGBind = estimated total binding free energy.
创建时间：
2013-02-21
