Computational Chemistry
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- 2012
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Mark
On the estimation of ligand binding affinities
2012)(
- Thesis › Doctoral thesis (compilation)
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Mark
Quantum mechanics in structure-based ligand design
(
- Chapter in Book/Report/Conference proceeding › Book chapter
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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
(
- Contribution to journal › Article
- 2011
-
Mark
Increasing thermoelectric performance using coherent transport
(
- Contribution to journal › Article
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Mark
A QM/MM study of the binding of RAPTA ligands to cathepsin B
(
- Contribution to journal › Article
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Mark
Unraveling the similarity of the photoabsorption of deprotonated p-coumaric acid in the gas phase and within the photoactive yellow protein
(
- Contribution to journal › Article
-
Mark
Reorganization Energy for Internal Electron Transfer in Multicopper Oxidases.
(
- Contribution to journal › Article
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Mark
Topology Selection and Tautoleptic Aggregation: Formation of an Enantiomerically Pure Supramolecular Belt over a Helix.
(
- Contribution to journal › Article
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Mark
Analytical theory of ideal polydisperse polymers at interfaces
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- Contribution to journal › Article
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Mark
MM/GBSA and LIE estimates of host-guest affinities: dependence on charges and solvation model.
(
- Contribution to journal › Article