Computational Chemistry
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- 2014
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Adsorption of beta-casein to hydrophilic silica surfaces. Effect of pH and electrolyte
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- Contribution to journal › Article
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Exact evaluation of the depletion force between nanospheres in a polydisperse polymer fluid under Θ conditions.
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- Contribution to journal › Article
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Effect of explicit water molecules on ligand-binding affinities calculated with the MM/GBSA approach.
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- Contribution to journal › Article
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Computational modelling of oxygenation processes in enzymes and biomimetic model complexes
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- Contribution to journal › Scientific review
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Effect of patchwise slip on fluid flow
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- Contribution to journal › Article
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A quantum-mechanical study of the reaction mechanism of sulfite oxidase.
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- Contribution to journal › Article
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Interaction and Aggregation of Charged Platelets in Electrolyte Solutions: A Coarse-Graining Approach.
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- Contribution to journal › Article
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Comparison of the active-site design of molybdenum oxo-transfer enzymes by quantum mechanical calculations.
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- Contribution to journal › Article
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Light-harvesting capabilities of low band gap donor-acceptor polymers.
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- Contribution to journal › Article
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Prediction of hydration free energies for the SAMPL4 data set with the AMOEBA polarizable force field.
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- Contribution to journal › Article