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- 2016
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Mark
Aggregation behavior of aqueous cellulose nanocrystals : the effect of inorganic salts
(
- Contribution to journal › Article
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Mark
Binding-affinity predictions of HSP90 in the D3R Grand Challenge 2015 with docking, MM/GBSA, QM/MM, and free-energy simulations
(
- Contribution to journal › Article
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Mark
O2 activation in salicylate 1,2-dioxygenase : A QM/MM study reveals the role of His162
(
- Contribution to journal › Article
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Mark
Fe N-Heterocyclic Carbene Complexes as Promising Photosensitizers
(
- Contribution to journal › Article
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Mark
Does the DFT Self-Interaction Error Affect Energies Calculated in Proteins with Large QM Systems?
(
- Contribution to journal › Article
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Mark
Revised atomistic models of the crystal structure of C-S-H with high C/S ratio
(
- Contribution to journal › Article
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Mark
Density fluctuations of hard-sphere fluids in narrow confinement
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- Contribution to journal › Article
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Mark
Computational Studies of Molybdenum and Tungsten Enzymes
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- Chapter in Book/Report/Conference proceeding › Book chapter
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Mark
Density functional theory of equilibrium random copolymers : Application to surface adsorption of aggregating peptides
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- Contribution to journal › Article
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Mark
Method for Slater-Type Density Fitting for Intermolecular Electrostatic Interactions with Charge Overlap. I. the Model
(
- Contribution to journal › Article