Computational Chemistry
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- 2021
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Mark
Force Field Effects in Simulations of Flexible Peptides with Varying Polyproline II Propensity
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- Contribution to journal › Article
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Mark
Molecular dynamics simulations of phosphorylated intrinsically disordered proteins : A force field comparison
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- Contribution to journal › Article
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Mark
Coarse-grained and atomistic modelling of phosphorylated intrinsically disordered proteins
2021)(
- Thesis › Doctoral thesis (compilation)
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Mark
Oxygen chemistry of halogen-doped CeO2(111)
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- Contribution to journal › Article
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Mark
PED in 2021 : A major update of the protein ensemble database for intrinsically disordered proteins
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- Contribution to journal › Article
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Mark
Entropy–Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C
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- Contribution to journal › Article
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Mark
Orientational arrest in dense suspensions of elliptical particles under oscillatory shear flows
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- Contribution to journal › Article
- 2020
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Mark
Phosphorylation of a Disordered Peptide - Structural Effects and Force Field Inconsistencies
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- Contribution to journal › Article
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Mark
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
Coarse-Grained Modelling of Protein Adsorption
2020)(
- Thesis › Doctoral thesis (compilation)