Pär Söderhjelm
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- 2009
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Mark
How Accurate Can a Force Field Become? A Polarizable Multipole Model Combined with Fragment-wise Quantum-Mechanical Calculations
(
- Contribution to journal › Article
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Mark
Conformational dependence of charges in protein simulations
(
- Contribution to journal › Article
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Mark
A first-principles approach to protein–ligand interaction
2009)(
- Thesis › Doctoral thesis (compilation)
- 2008
-
Mark
QM/MM-PBSA method to estimate free energies for reactions in proteins
(
- Contribution to journal › Article
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Mark
The ozone ring closure as a test for multi-state multi-configurational second order perturbation theory (MS-CASPT2)
(
- Contribution to journal › Article
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Mark
Proton transfer at metal sites in proteins studied by quantum mechanical free-energy perturbations
(
- Contribution to journal › Article
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Mark
On the performance of quantum chemical methods to predict solvatochromic effects: The case of acrolein in aqueous solution.
(
- Contribution to journal › Article
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Mark
Accuracy of typical approximations in classical models of intermolecular polarization
(
- Contribution to journal › Article
- 2007
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Mark
Accuracy of distributed multipoles and polarizabilities: Comparison between the LoProp and MpProp models
(
- Contribution to journal › Article
- 2006
-
Mark
Ligand affinities predicted with the MM/PBSA method: Dependence on the simulation method and the force field
(
- Contribution to journal › Article