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- 2018
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Mark
Insight into the reaction mechanism of lipoyl synthase : a QM/MM study
(
- Contribution to journal › Article
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Mark
The effect of the relative permittivity on the tactoid formation in nanoplatelet systems. A combined computer simulation, SAXS, and osmotic pressure study
(
- Contribution to journal › Article
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Mark
Quantum Refinement Does Not Support Dinuclear Copper Sites in Crystal Structures of Particulate Methane Monooxygenase
(
- Contribution to journal › Article
-
Mark
Tracking the picosecond deactivation dynamics of a photoexcited iron carbene complex by time-resolved X-ray scattering
(
- Contribution to journal › Article
-
Mark
Exploration of H2 binding to the [NiFe]-hydrogenase active site with multiconfigurational density functional theory
(
- Contribution to journal › Article
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Mark
Planar screening by charge polydisperse counterions
(
- Contribution to journal › Article
-
Mark
QM/MM free-energy perturbation and other methods to estimate ligand-binding affinities
2018)(
- Thesis › Doctoral thesis (compilation)
-
Mark
A correlation-hole approach to the electric double layer with counter-ions only
(
- Contribution to journal › Article
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Mark
Molecular mechanism of lytic polysaccharide monooxygenases
(
- Contribution to journal › Article
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Mark
Generalized van der Waals Theory of Molecular Fluids in Bulk and at Surfaces
2018)(
- Book/Report › Book