Enzyme-substrate complexes of enzymes performing P-O bond cleavage
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资源简介：
1. Equilibrium geometry configurations of enzyme-substrate complexes calculated at the QM(PBE0-D3/6-31G**)/MM(CHARMM) level: pdb and psf files. 2. Molden files with coordinates of the QM subsystem and corresponding molecular orbitals.
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Zenodo创建时间：
2025-01-20
