Computational Chemistry
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- 2020
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Mark
Vibrational wavepacket dynamics in Fe carbene photosensitizer determined with femtosecond X-ray emission and scattering
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- Contribution to journal › Article
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Importance of the iron–sulfur component and of the siroheme modification in the resting state of sulfite reductase
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- Contribution to journal › Article
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Phosphorylation of a Disordered Peptide - Structural Effects and Force Field Inconsistencies
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- Contribution to journal › Article
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Integrating All-Atom and Coarse-Grained Simulations - Toward Understanding of IDPs at Surfaces
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- Contribution to journal › Article
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Mark
Non-monotonic phase behaviour of a mixture containing non-adsorbing particles and polymerising rod-like molecules
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- Contribution to journal › Article
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Is density functional theory accurate for lytic polysaccharide monooxygenase enzymes
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- Contribution to journal › Article
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The ANO-R Basis Set
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- Contribution to journal › Article
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Coarse-Grained Modelling of Protein Adsorption
2020)(
- Thesis › Doctoral thesis (compilation)
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Accuracy and precision of statistical descriptors obtained from multidimensional diffusion signal inversion algorithms
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- Contribution to journal › Article
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Adsorption of Fibrinogen on Silica Surfaces-The Effect of Attached Nanoparticles
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- Contribution to journal › Article