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- 2011
-
Mark
Conformational Dependence of Isotropic Polarizabilities
(
- Contribution to journal › Article
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Mark
On the Convergence of QM/MM Energies
(
- Contribution to journal › Article
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Mark
Comparison of Methods to Obtain Force-Field Parameters for Metal Sites
(
- Contribution to journal › Article
- 2010
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Mark
Starting-Condition Dependence of Order Parameters Derived from Molecular Dynamics Simulations
(
- Contribution to journal › Article
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Mark
Nonpolar Solvation Free Energies of Protein-Ligand Complexes
(
- Contribution to journal › Article
-
Mark
Fast Proton Titration Scheme for Multiscale Modeling of Protein Solutions
(
- Contribution to journal › Article
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Mark
Calibration of Cholesky Auxiliary Basis Sets for Multiconfigurational Perturbation Theory Calculations of Excitation Energies
(
- Contribution to journal › Article
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Mark
Ligand affinities estimated by quantum chemical calculations
(
- Contribution to journal › Article
- 2009
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Mark
Location of Two Seams in the Proximity of the C-2v pi pi Minimum Energy Path of Formaldehyde
(
- Contribution to journal › Article
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Mark
Ab Initio Density Fitting: Accuracy Assessment of Auxiliary Basis Sets from Cholesky Decompositions
(
- Contribution to journal › Article