Probing the Structure of [NiFeSe] Hydrogenase with QM/MM Computations
The geometry and vibrational behavior of selenocysteine [NiFeSe] hydrogenase isolated from <i>Desulfovibrio vulgaris</i> Hildenborough have been investigated using a hybrid quantum mechanical (QM)/ molecular mechanical (MM) approach. Structural models have been built based on the three c...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2020-01-01
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| Series: | Applied Sciences |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2076-3417/10/3/781 |