The intermolecular interaction energies of the 161 small-molecule complexes generated by the EUDOC program and their mass-weighted root mean square deviations (mwRMSDs) relative to their corresponding crystal structures.
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资源简介：
1Cambridge Structural Database code; 2Intermolecular interaction energy calculated by the EUDOC program; 3The van der Waals component of the intermolecular interaction energy; 4The electrostatic component of the intermolecular interaction energy; 5The translational increment was set to 0.5 Å.
创建时间：
2007-06-13
