Computational Chemistry
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- 2021
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Mark
Building polymer-like clusters from colloidal particles with isotropic interactions, in aqueous solution
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- Contribution to journal › Article
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Comparison of the accuracy of DFT methods for reactions with relevance to nitrogenase
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- Contribution to journal › Article
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From Attraction to Repulsion to Attraction: Non-Monotonic Temperature Dependence of Polymer-Mediated Interactions in Colloidal Dispersions
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- Contribution to journal › Article
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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
Hybrids between Rubus idaeus and Rubus sect. Corylifolii and their relation to R. pruinosus and R. rosanthus
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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
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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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
On the Thermodynamic Solvation of Biomolecules in Solution
2021)(
- Thesis › Doctoral thesis (compilation)