| 2005 |
|---|
| 4 | EE | Sonja M. Schwarzl,
Danzhi Huang,
Jeremy C. Smith,
Stefan Fischer:
Nonuniform charge scaling (NUCS): A practical approximation of solvent electrostatic screening in proteins.
Journal of Computational Chemistry 26(13): 1359-1371 (2005) |
| 2003 |
|---|
| 3 | EE | Sonja M. Schwarzl,
Danzhi Huang,
Jeremy C. Smith,
Stefan Fischer:
How well does charge reparametrisation account for solvent screening in molecular mechanics calculations? The example of myosin.
In Silico Biology 3: 16 (2003) |
| 2002 |
|---|
| 2 | EE | Sonja M. Schwarzl,
Thomas B. Tschopp,
Jeremy C. Smith,
Stefan Fischer:
Can the calculation of ligand binding free energies be improved with continuum solvent electrostatics and an ideal-gas entropy correction?.
Journal of Computational Chemistry 23(12): 1143-1149 (2002) |
| 1997 |
|---|
| 1 | EE | Amedeo Caflisch,
Stefan Fischer,
Martin Karplus:
Docking by Monte Carlo minimization with a solvation correction: Application to an FKBP - substrate complex.
Journal of Computational Chemistry 18(6): 723-743 (1997) |
