Binding free energy calculation of enzyme-cofactor complexes (HCTR1-NADPH and HCTR2-NADPH).
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下载链接：
https://figshare.com/articles/dataset/_Binding_free_energy_calculation_of_enzyme_cofactor_complexes_HCTR1_NADPH_and_HCTR2_NADPH_/1033278
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资源简介：
ΔGbind = Binding free energy.
ΔGcoul = Electrostatic energy.
ΔGps = Polar solvation energy.
ΔGpolar = Polar term (ΔGcoul + ΔGps).
ΔGvdW = van der Waals energy.
ΔGnps = Nonpolar solvation energy.
ΔGnonpolar = Nonpolar term (ΔGvdW + ΔGnps).
创建时间：
2014-05-21
