| 2004 |
|---|
| 5 | EE | Martin Almlöf,
Bjørn O. Brandsdal,
Johan Åqvist:
Binding affinity prediction with different force fields: Examination of the linear interaction energy method.
Journal of Computational Chemistry 25(10): 1242-1254 (2004) |
| 1998 |
|---|
| 4 | EE | Tomas Hansson,
John Marelius,
Johan Åqvist:
Ligand binding affinity prediction by linear interaction energy methods.
Journal of Computer-Aided Molecular Design 12(1): 27-35 (1998) |
| 3 | EE | John Marelius,
Malin Graffner-Nordberg,
Tomas Hansson,
Anders Hallberg,
Johan Åqvist:
Computation of affinity and selectivity: Binding of 2, 4-diaminopteridine and 2, 4-diaminoquinazoline inhibitors to dihydrofolate reductases.
Journal of Computer-Aided Molecular Design 12(2): 119-131 (1998) |
| 1996 |
|---|
| 2 | EE | Johan Åqvist:
Calculation of absolute binding free energies for charged ligands and effects of long-range electrostatic interactions.
Journal of Computational Chemistry 17(14): 1587-1597 (1996) |
| 1986 |
|---|
| 1 | EE | Johan Åqvist:
A simple way to calculate the axis of an -helix.
Computers & Chemistry 10(2): 97-99 (1986) |
