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- 2018
-
Mark
Can MM/GBSA calculations be sped up by system truncation?
(
- Contribution to journal › Article
- 2016
-
Mark
Converging ligand-binding free energies obtained with free-energy perturbations at the quantum mechanical level
(
- Contribution to journal › Article
-
Mark
Ligand-Binding Affinity Estimates Supported by Quantum-Mechanical Methods
(
- Contribution to journal › Article
- 2015
-
Mark
Binding affinities by alchemical perturbation using QM/MM with a large QM system and polarizable MM model.
(
- Contribution to journal › Article
- 2014
-
Mark
Coupled-Cluster Interaction Energies for 200-Atom Host-Guest Systems
(
- Contribution to journal › Article