Binding free energy calculation of enzyme-cofactor complexes (HCTR1-NADPH and HCTR2-NADPH).
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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
