| 2005 |
|---|
| 4 | EE | Serena Donnini,
Alan E. Mark,
André H. Juffer,
Alessandra Villa:
Incorporating the effect of ionic strength in free energy calculations using explicit ions.
Journal of Computational Chemistry 26(2): 115-122 (2005) |
| 2004 |
|---|
| 3 | EE | Chris Oostenbrink,
Alessandra Villa,
Alan E. Mark,
Wilfred F. van Gunsteren:
A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6.
Journal of Computational Chemistry 25(13): 1656-1676 (2004) |
| 2003 |
|---|
| 2 | | Alessandra Villa,
Ronen Zangi,
Gilles Pieffet,
Alan E. Mark:
Sampling and convergence in free energy calculations of protein-ligand interactions: The binding of triphenoxypyridine derivatives to factor Xa and trypsin.
Journal of Computer-Aided Molecular Design 17(10): 673-686 (2003) |
| 2002 |
|---|
| 1 | EE | Alessandra Villa,
Alan E. Mark:
Calculation of the free energy of solvation for neutral analogs of amino acid side chains.
Journal of Computational Chemistry 23(5): 548-553 (2002) |
