2006 |
11 | EE | Stuart Firth-Clark,
Nikolay P. Todorov,
Ian L. Alberts,
Anthony Williams,
Timothy James,
Philip M. Dean:
Exhaustive de novo Design of Low-Molecular-Weight Fragments Against the ATP-Binding Site of DNA-Gyrase.
Journal of Chemical Information and Modeling 46(3): 1168-1173 (2006) |
2002 |
10 | EE | Martin Stahl,
Nikolay P. Todorov,
Timothy James,
Harald Mauser,
Hans-Joachim Böhm,
Philip M. Dean:
A validation study on the practical use of automated de novo design.
Journal of Computer-Aided Molecular Design 16(7): 459-478 (2002) |
2001 |
9 | EE | J. E. J. Mills,
I. J. P. de Esch,
Tim D. J. Perkins,
Philip M. Dean:
Slate: A method for the superposition of flexible ligands.
Journal of Computer-Aided Molecular Design 15(1): 81-96 (2001) |
1999 |
8 | EE | S. L. Garland,
Philip M. Dean:
Design criteria for molecular mimics of fragments of the beta-turn. 1. C-alpha atom analysis.
Journal of Computer-Aided Molecular Design 13(5): 469-483 (1999) |
7 | EE | S. L. Garland,
Philip M. Dean:
Design criteria for molecular mimics of fragments of the beta-turn. 2. C-alpha-C-beta bond vector analysis.
Journal of Computer-Aided Molecular Design 13(5): 485-498 (1999) |
1998 |
6 | EE | Nikolay P. Todorov,
Philip M. Dean:
A branch-and-bound method for optimal atom-type assignment in de novo ligand design.
Journal of Computer-Aided Molecular Design 12(4): 335-349 (1998) |
1997 |
5 | EE | Nikolay P. Todorov,
Philip M. Dean:
Evaluation of a method for controlling molecular scaffold diversity in de novo ligand design.
Journal of Computer-Aided Molecular Design 11(2): 175-192 (1997) |
4 | EE | J. E. J. Mills,
Tim D. J. Perkins,
Philip M. Dean:
An automated method for predicting the positions of hydrogen-bonding atoms in binding sites.
Journal of Computer-Aided Molecular Design 11(3): 229-242 (1997) |
1996 |
3 | | J. E. J. Mills,
Philip M. Dean:
Three-dimensional hydrogen-bond geometry and probability information from a crystal survey.
Journal of Computer-Aided Molecular Design 10(6): 607-622 (1996) |
1995 |
2 | | Tim D. J. Perkins,
J. E. J. Mills,
Philip M. Dean:
Molecular surface-volume and property matching to superpose flexible dissimilar molecules.
Journal of Computer-Aided Molecular Design 9(6): 479-490 (1995) |
1993 |
1 | | Tim D. J. Perkins,
Philip M. Dean:
An exploration of a novel strategy for superposing several flexible molecules.
Journal of Computer-Aided Molecular Design 7(2): 155-172 (1993) |