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- 2018
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Mark
Specific Cation Effects on SCN– in Bulk Solution and at the Air−Water Interface
(
- Contribution to journal › Article
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Mark
Small and Large, Charged Molecules in Solution and at Interfaces
2018)(
- Thesis › Doctoral thesis (compilation)
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Mark
Osmotic pressure in polyelectrolyte solutions : cell-model and bulk simulations
(
- Contribution to journal › Article
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Mark
Multiconfigurational short-range density-functional theory for open-shell systems
(
- Contribution to journal › Article
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Mark
On the difference between additive and subtractive QM/MM calculations
(
- Contribution to journal › Article
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Mark
A novel mechanism of heme degradation to biliverdin studied by QM/MM and QM calculations
(
- Contribution to journal › Article
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Mark
Assessing the stability of free-energy perturbation calculations by performing variations in the method
(
- Contribution to journal › Article
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Mark
Utilizing Coarse-Grained Modeling and Monte Carlo Simulations to Evaluate the Conformational Ensemble of Intrinsically Disordered Proteins and Regions
(
- Contribution to journal › Article
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Mark
Insight into the reaction mechanism of lipoyl synthase : a QM/MM study
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- Contribution to journal › Article
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Mark
QM/MM free-energy perturbation and other methods to estimate ligand-binding affinities
2018)(
- Thesis › Doctoral thesis (compilation)