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- 2011
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Mark
Isocyanide in Biochemistry? A Theoretical Investigation of the Electronic Effects and Energetics of Cyanide Ligand Protonation in [FeFe]-Hydrogenases
(
- Contribution to journal › Article
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Mark
A comparison of different initialization protocols to obtain statistically independent molecular dynamics simulations.
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- Contribution to journal › Article
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Mark
Calculation of the Molecular and Atomic Properties of Selected Anions in Water.
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- Contribution to journal › Article
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Mark
Arguments for a narrow species concept in Rubus sect. Corylifolii
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- Contribution to journal › Article
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Mark
Structural Anisotropy in Polar Fluids Subjected to Periodic Boundary Conditions
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- Contribution to journal › Article
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Mark
Protein adsorption and complement activation for di-block copolymer nanoparticles
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- Contribution to journal › Article
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Mark
Dressed counterions: Polyvalent and monovalent ions at charged dielectric interfaces
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- Contribution to journal › Article
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Mark
Binding Affinities of Factor Xa Inhibitors Estimated by Thermodynamic Integration and MM/GBSA.
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- Contribution to journal › Article
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Mark
Probing the Effects of One-Electron Reduction and Protonation on the Electronic Properties of the Fe-S Clusters in the Active-Ready Form of [FeFe]-Hydrogenases. A QM/MM Investigation.
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- Contribution to journal › Article
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Mark
Reductive cleavage of the O-O bond in multicopper oxidases: a QM/MM and QM study
(
- Contribution to journal › Article