2004 |
6 | EE | Bernd Ehresmann,
Marcel J. de Groot,
Alexander Alex,
Timothy Clark:
New Molecular Descriptors Based on Local Properties at the Molecular Surface and a Boiling-Point Model Derived from Them.
Journal of Chemical Information and Modeling 44(2): 658-668 (2004) |
5 | EE | Martin Whittle,
Valerie J. Gillet,
Peter Willett,
Alexander Alex,
Jens Loesel:
Enhancing the Effectiveness of Virtual Screening by Fusing Nearest Neighbor Lists: A Comparison of Similarity Coefficients.
Journal of Chemical Information and Modeling 44(5): 1840-1848 (2004) |
2001 |
4 | EE | Irene Nobeli,
John B. O. Mitchell,
Alexander Alex,
Janet M. Thornton:
Evaluation of a knowledge-based potential of mean force for scoring docked protein-ligand complexes.
Journal of Computational Chemistry 22(7): 673-688 (2001) |
1999 |
3 | EE | John B. O. Mitchell,
Alexander Alex,
Michael Snarey:
SATIS: Atom Typing from Chemical Connectivity.
Journal of Chemical Information and Computer Sciences 39(4): 751-757 (1999) |
2 | EE | John B. O. Mitchell,
Roman A. Laskowski,
Alexander Alex,
Janet M. Thornton:
BLEEP - potential of mean force describing protein-ligand interactions: I. Generating potential.
Journal of Computational Chemistry 20(11): 1165-1176 (1999) |
1 | EE | John B. O. Mitchell,
Roman A. Laskowski,
Alexander Alex,
Mark J. Forster,
Janet M. Thornton:
BLEEP - potential of mean force describing protein-ligand interactions: II. Calculation of binding energies and comparison with experimental data.
Journal of Computational Chemistry 20(11): 1177-1185 (1999) |