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- 2018
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Mark
Reaction mechanism of metalloenzymes studied by theoretical methods
2018)(
- Thesis › Doctoral thesis (compilation)
- 2016
-
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
-
Mark
QM/MM Calculations on Proteins
(
- Contribution to journal › Article