2004 |
10 | EE | Marcel L. Verdonk,
Valerio Berdini,
Michael J. Hartshorn,
Wijnand T. M. Mooij,
Christopher W. Murray,
Richard D. Taylor,
Paul Watson II:
Virtual Screening Using Protein-Ligand Docking: Avoiding Artificial Enrichment.
Journal of Chemical Information and Modeling 44(3): 793-806 (2004) |
2002 |
9 | EE | Christopher W. Murray,
Marcel L. Verdonk:
The consequences of translational and rotational entropy lost by small molecules on binding to proteins.
Journal of Computer-Aided Molecular Design 16(10): 741-753 (2002) |
8 | EE | Louise Birch,
Christopher W. Murray,
Michael J. Hartshorn,
Ian J. Tickle,
Marcel L. Verdonk:
Sensitivity of molecular docking to induced fit effects in influenza virus neuraminidase.
Journal of Computer-Aided Molecular Design 16(12): 855-869 (2002) |
2001 |
7 | EE | Paul Watson II,
Peter Willett,
Valerie J. Gillet,
Marcel L. Verdonk:
Calculating the knowledge-based similarity of functional groups using crystallographic data.
Journal of Computer-Aided Molecular Design 15(9): 835-857 (2001) |
2000 |
6 | EE | J. Willem,
M. Nissink,
Marcel L. Verdonk,
Gerhard Klebe:
Simple knowledge-based descriptors to predict protein-ligand interactions. Methodology and validation.
Journal of Computer-Aided Molecular Design 14(8): 787-803 (2000) |
1998 |
5 | EE | Ian J. Bruno,
Jason C. Cole,
Jos P. M. Lommerse,
R. Scott Rowland,
Robin Taylor,
Marcel L. Verdonk:
IsoStar: A library of information about nonbonded interactions.
Journal of Computer-Aided Molecular Design 12(6): 525-537 (1998) |
1997 |
4 | EE | J. W. M. Nissink,
Marcel L. Verdonk,
Jan Kroon,
Thomas Mietzner,
Gerhard Klebe:
Superposition of molecules: Electron density fitting by application of fourier transforms.
Journal of Computational Chemistry 18(5): 638-645 (1997) |
3 | EE | Ian J. Bruno,
Jason C. Cole,
Jos P. M. Lommerse,
R. Scott Rowland,
Robin Taylor,
Marcel L. Verdonk:
IsoStar: A library of information about nonbonded interactions.
Journal of Computer-Aided Molecular Design 11(6): 525-537 (1997) |
1994 |
2 | | Marcel L. Verdonk,
R. W. Tjerkstra,
I. S. Ridder,
Jan A. Kanters,
Jan Kroon,
W. J. M. van der Kemp:
ToBaD: A MEthod for the Estimation of Torsion Barriers from Crystal Structure Data; Conformational Analysis of N, N-Dimethylaniline and Derivatives.
Journal of Computational Chemistry 15(12): 1429-1436 (1994) |
1993 |
1 | | Marcel L. Verdonk,
Gertjan J. Boks,
Huub Kooijman,
Jan A. Kanters,
Jan Kroon:
Stereochemistry of charged nitrogen-aromatic interactions and its involvement in ligand-receptor binding.
Journal of Computer-Aided Molecular Design 7(2): 173-182 (1993) |