Mechanistic principles of hydrogen evolution in the membrane-bound hydrogenase
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https://zenodo.org/record/10823884
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资源简介：
Optimized coordinates of DFT models of the [NiFe] active-site from the membrane-bound hydrogenase
Table of contents1. Ni-SIa state2. Ni-L and Ni-C state3. Ni-R state4. Ni-SIa state (with His75+)5. Ni-L and Ni-C state (with His75+)6. Ni-R state (with His75+)7. [NiFe] active-site from DvMF in the Ni-R state (Geometries optimized using various DFT functional)
创建时间：
2024-09-16
