Molecular dynamics snapshots and force field parameters for platinum complex trans-trans-trans-[Pt(N3)2(NH3)2Cl2]
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https://zenodo.org/records/7791336
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资源简介：
Snapshots refined with DFT (BP86) of trans-trans-trans-[Pt(N3)2(NH3)2Cl2]. The dataset are pdbs and the force-field parameters (AMBER format) for the metal complex. A full description of how the force field and the snapshots are generated can be found in the paper: J. Creutzberg, E. D. Hedegård, Phys. Chem. Chem. Phys. (2023), 25, 6153-6163
创建时间：
2023-04-02
