Pär Söderhjelm
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- 2014
-
Mark
Prediction of hydration free energies for the SAMPL4 data set with the AMOEBA polarizable force field.
(
- Contribution to journal › Article
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Mark
Coupled-Cluster Interaction Energies for 200-Atom Host-Guest Systems
(
- Contribution to journal › Article
- 2013
-
Mark
Effect of geometry optimisations on QM-cluster and QM/MM studies of reaction energies in proteins
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- Contribution to journal › Article
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Mark
Accurate reaction energies in proteins obtained by combining QM/MM and large QM calculations
(
- Contribution to journal › Article
-
Mark
Comparison of MM/GBSA calculations based on explicit and implicit solvent simulations.
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- Contribution to journal › Article
- 2012
-
Mark
Transferability of conformational dependent charges from protein simulations
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- Contribution to journal › Article
-
Mark
Quantum mechanics in structure-based ligand design
(
- Chapter in Book/Report/Conference proceeding › Book chapter
- 2011
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Mark
Conformational Dependence of Isotropic Polarizabilities
(
- Contribution to journal › Article
- 2010
-
Mark
Estimates of ligand-binding affinities supported by quantum mechanical methods.
(
- Contribution to journal › Article
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Mark
Nonpolar Solvation Free Energies of Protein-Ligand Complexes
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- Contribution to journal › Article