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- 2024
-
Mark
Modeling Photofunctional Transition Metal Complexes
2024)(
- Thesis › Doctoral thesis (compilation)
-
Mark
Grain boundary embrittlement due to phosphorus in tungsten : An atomistic approach
2024)(
- Thesis › Doctoral thesis (compilation)
-
Mark
Unraveling the Binding Mode of Cyclic Adenosine–Inosine Monophosphate (cAIMP) to STING through Molecular Dynamics Simulations
(
- Contribution to journal › Article
- 2023
-
Mark
From dilute to concentrated solutions of intrinsically disordered proteins : Interpretation and analysis of collected data
(
- Chapter in Book/Report/Conference proceeding › Book chapter
-
Mark
Stability and structural evolution of double-stranded DNA molecules under high pressures : A molecular dynamics study
(
- Contribution to journal › Article
-
Mark
Computational investigation of aphid odorant receptor structure and binding function
(
- Contribution to journal › Article
-
Mark
Comparison of force fields to study the zinc-finger containing protein NPL4, a target for disulfiram in cancer therapy
(
- Contribution to journal › Article
-
Mark
Skin, soap, and spaghetti : Investigations of co-existing solid and liquid phases in organic materials using solid-state NMR with dynamics-based spectral editing
(
- Contribution to journal › Article
-
Mark
Free-energy studies of ligand-binding affinities
2023)(
- Thesis › Doctoral thesis (compilation)
- 2022
-
Mark
Molecular dynamics-based characterisation of early oxide in Fe/Cr alloys
(
- Contribution to journal › Article
-
Mark
Molecular dynamic modelling of the combined influence from strain rate and temperature at tensile loading of nanosized single crystal Cu beams
(
- Contribution to journal › Article
-
Mark
The role of water coordination in the pH-dependent gating of hAQP10
(
- Contribution to journal › Article
- 2021
-
Mark
General Trends in Core-Shell Preferences for Bimetallic Nanoparticles
(
- Contribution to journal › Article
-
Mark
Benzimidazole–galactosides bind selectively to the Galectin-8 N-Terminal domain : Structure-based design and optimisation
(
- Contribution to journal › Article
-
Mark
Fighting microbial infections with force fields: Evaluating conformational ensembles of intrinsically disordered proteins
2021)(
- Thesis › Doctoral thesis (compilation)
-
Mark
Interplay of lipid and surfactant : Impact on nanoparticle structure
(
- Contribution to journal › Article
-
Mark
Simulation of nanometric cutting using molecular dynamics
2021) In Procedia CIRP(
- Chapter in Book/Report/Conference proceeding › Paper in conference proceeding
-
Mark
Sintering mechanisms of core@shell metal@metal-oxide nanoparticles
2021) International Conference on Advances in Functional Materials(
- Contribution to conference › Abstract
-
Mark
Coarse-grained and atomistic modelling of phosphorylated intrinsically disordered proteins
2021)(
- Thesis › Doctoral thesis (compilation)
-
Mark
Modeled 3D-Structures of Proteobacterial Transglycosylases from Glycoside Hydrolase Family 17 Give Insight in Ligand Interactions Explaining Differences in Transglycosylation Products
(
- Contribution to journal › Article