| 1 |
Ligand-Binding Affinity Estimates Supported by Quantum-Mechanical Methods
Ryde U, Soderhjelm P
Chemical Reviews, 116(9), 5520, 2016 |
| 2 |
Accurate Predictions of Nonpolar Solvation Free Energies Require Explicit Consideration of Binding-Site Hydration
Genheden S, Mikulskis P, Hu LH, Kongsted J, Soderhjelm P, Ryde U
Journal of the American Chemical Society, 133(33), 13081, 2011 |
| 3 |
On the coupling of intermolecular polarization and repulsion through pseudo-potentials
Soderhjelm P, Ohrn A
Chemical Physics Letters, 468(1-3), 94, 2009 |
| 4 |
How Accurate Can a Force Field Become? A Polarizable Multipole Model Combined with Fragment-wise Quantum-Mechanical Calculations
Soderhjelm P, Ryde U
Journal of Physical Chemistry A, 113(3), 617, 2009 |
| 5 |
Calculation of Protein-Ligand Interaction Energies by a Fragmentation Approach Combining High-Level Quantum Chemistry with Classical Many-Body Effects
Soderhjelm P, Aquilante F, Ryde U
Journal of Physical Chemistry B, 113(32), 11085, 2009 |
| 6 |
The ozone ring closure as a test for multi-state multi-configurational second order perturbation theory (MS-CASPT2)
De Vico L, Pegado L, Heimdal J, Soderhjelm P, Roos BO
Chemical Physics Letters, 461(1-3), 136, 2008 |
| 7 |
QM/MM-PBSA method to estimate free energies for reactions in proteins
Kaukonen M, Soderhjelm P, Heimdal J, Ryde U
Journal of Physical Chemistry B, 112(39), 12537, 2008 |
