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- 2012
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Mark
Quantum-mechanical studies of reactions performed by cytochrome P450 enzymes
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- Contribution to journal › Scientific review
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Mark
Liquid Crystal Phases in Suspensions of Charged Plate-Like Particles
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- Contribution to journal › Article
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Mark
Mechanism Insights of Ethane C-H Bond Activations by Bare [Fe-III=O](+): Explicit Electronic Structure Analysis
2012) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 116(5). p.1475-1485(
- Contribution to journal › Article
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Mark
Adhesion of fermented diary products to packaging materials. Effect of material functionality, storage time, and fat content of the product. An empirical study
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- Contribution to journal › Article
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Mark
A simple many-body Hamiltonian for polymer-colloid mixtures: simulations and mean-field theory
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- Contribution to journal › Article
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Mark
A semiempirical approach to ligand-binding affinities: Dependence on the Hamiltonian and corrections.
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- Contribution to journal › Article
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Mark
Monte Carlo simulations of a clay inspired model suspension: the role of rim charge
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- Contribution to journal › Article
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Mark
Anisotropic Interactions in Protein Mixtures,: Self Assembly and Phase Behavior in Aqueous Solution
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- Contribution to journal › Article
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Mark
Binding affinities in the SAMPL3 trypsin and host-guest blind tests estimated with the MM/PBSA and LIE methods.
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- Contribution to journal › Article
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Mark
Will molecular dynamics simulations of proteins ever reach equilibrium?
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- Contribution to journal › Article