| 2004 |
|---|
| 6 | EE | Romano T. Kroemer,
Anna Vulpetti,
Joseph J. McDonald,
Douglas C. Rohrer,
Jean-Yves Trosset,
Fabrizio Giordanetto,
Simona Cotesta,
Colin McMartin,
Mats Kihlén,
Pieter F. W. Stouten:
Assessment of Docking Poses: Interactions-Based Accuracy Classification (IBAC) versus Crystal Structure Deviations.
Journal of Chemical Information and Modeling 44(3): 871-881 (2004) |
| 5 | EE | Fabrizio Giordanetto,
Simona Cotesta,
Cornel Catana,
Jean-Yves Trosset,
Anna Vulpetti,
Pieter F. W. Stouten,
Romano T. Kroemer:
Novel Scoring Functions Comprising QXP, SASA, and Protein Side-Chain Entropy Terms.
Journal of Chemical Information and Modeling 44(3): 882-893 (2004) |
| 1997 |
|---|
| 4 | EE | Martin F. Parretti,
Romano T. Kroemer,
Jeffrey H. Rothman,
W. Graham Richards:
Alignment of molecules by the Monte Carlo optimization of molecular similarity indices.
Journal of Computational Chemistry 18(11): 1344-1353 (1997) |
| 1996 |
|---|
| 3 | EE | Romano T. Kroemer,
Peter Hecht,
Klaus R. Liedl:
Different electrostatic descriptors in comparative molecular field analysis: A comparison of molecular electrostatic and coulomb potentials.
Journal of Computational Chemistry 17(11): 1296-1308 (1996) |
| 1995 |
|---|
| 2 | | Romano T. Kroemer,
Peter Hecht:
Replacement of steric 6-12 potential-derived interaction energies by atom-based indicator variables in CoMFA leads to models of higher consistency.
Journal of Computer-Aided Molecular Design 9(3): 205-212 (1995) |
| 1 | | Romano T. Kroemer,
Peter Hecht:
A new procedure for improving the predictiveness of CoMFA models and its application to a set of dihydrofolate reductase inhibitors.
Journal of Computer-Aided Molecular Design 9(5): 396-406 (1995) |
