| 2003 |
|---|
| 5 | | Jan Kmunícek,
Michal Bohác,
Santos Luengo,
Federico Gago,
Rebecca C. Wade,
Jirí Damborský:
Comparative binding energy analysis of haloalkane dehalogenase substrates: Modelling of enzyme-substrate complexes by molecular docking and quantum mechanical calculations.
Journal of Computer-Aided Molecular Design 17(5-6): 299-311 (2003) |
| 2002 |
|---|
| 4 | EE | Ferran Sanz,
Federico Gago:
Current perspective of information technologies in drug discovery.
Journal of Computer-Aided Molecular Design 16(11): 767-768 (2002) |
| 2000 |
|---|
| 3 | EE | Raquel García-Nieto,
Carlos Pérez,
Federico Gago:
Automated docking and molecular dynamics simulations of nimesulide in the cyclooxygenase active site of human prostaglandin-endoperoxide synthase-2 (COX-2).
Journal of Computer-Aided Molecular Design 14(2): 147-160 (2000) |
| 2 | EE | Juan José Lozano,
Manuel Pastor,
Gabriele Cruciani,
Katrin Gaedt,
Nuria B. Centeno,
Federico Gago,
Ferran Sanz:
3D-QSAR methods on the basis of ligand-receptor complexes. Application of COMBINE and GRID/GOLPE methodologies to a series of CYP1A2 ligands.
Journal of Computer-Aided Molecular Design 14(4): 341-353 (2000) |
| 1997 |
|---|
| 1 | EE | José Gallego,
Angel R. Ortiz,
Beatriz de Pascual-Teresa,
Federico Gago:
Structure-affinity relationships for the binding of actinomycin D to DNA.
Journal of Computer-Aided Molecular Design 11(2): 114-128 (1997) |
