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- 2017
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Mark
Binding free energies in the SAMPL5 octa-acid host–guest challenge calculated with DFT-D3 and CCSD(T)
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- Contribution to journal › Article
-
Mark
Effect of the protein ligand in DMSO reductase studied by computational methods
(
- Contribution to journal › Article
- 2013
-
Mark
Effect of geometry optimisations on QM-cluster and QM/MM studies of reaction energies in proteins
(
- Contribution to journal › Article