Geng Dong (Former)
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- 2017
-
Mark
Effect of the protein ligand in DMSO reductase studied by computational methods
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- Contribution to journal › Article
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Mark
H2 binding to the active site of [NiFe] hydrogenase studied by multiconfigurational and coupled-cluster methods
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- Contribution to journal › Article
- 2016
-
Mark
Protonation states of intermediates in the reaction mechanism of [NiFe] hydrogenase studied by computational methods.
(
- Contribution to journal › Article
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Mark
Binding-affinity predictions of HSP90 in the D3R Grand Challenge 2015 with docking, MM/GBSA, QM/MM, and free-energy simulations
(
- Contribution to journal › Article
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Mark
O2 activation in salicylate 1,2-dioxygenase : A QM/MM study reveals the role of His162
(
- Contribution to journal › Article
-
Mark
Computational Studies of Molybdenum and Tungsten Enzymes
(
- Chapter in Book/Report/Conference proceeding › Book chapter
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