Pär Söderhjelm
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- 2010
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Mark
Ligand affinities estimated by quantum chemical calculations
(
- Contribution to journal › Article
- 2009
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Mark
Calculation of Protein-Ligand Interaction Energies by a Fragmentation Approach Combining High-Level Quantum Chemistry with Classical Many-Body Effects
(
- Contribution to journal › Article
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Mark
How accurate are continuum solvation models for drug-like molecules?
(
- Contribution to journal › Article
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Mark
Protein Influence on Electronic Spectra Modeled by Multipoles and Polarizabilities
(
- Contribution to journal › Article
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Mark
On the coupling of intermolecular polarization and repulsion through pseudo-potentials
(
- Contribution to journal › Article
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Mark
Conformational dependence of charges in protein simulations
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- Contribution to journal › Article
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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
A first-principles approach to protein–ligand interaction
2009)(
- Thesis › Doctoral thesis (compilation)
- 2008
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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