2007 |
12 | EE | Gemma L. Holliday,
Daniel E. Almonacid,
Gail J. Bartlett,
Noel M. O'Boyle,
James W. Torrance,
Peter Murray-Rust,
John B. O. Mitchell,
Janet M. Thornton:
MACiE (Mechanism, Annotation and Classification in Enzymes): novel tools for searching catalytic mechanisms.
Nucleic Acids Research 35(Database-Issue): 515-520 (2007) |
2006 |
11 | EE | Edward O. Cannon,
John B. O. Mitchell:
Classifying the World Anti-Doping Agency's 2005 Prohibited List Using the Chemistry Development Kit Fingerprint.
CompLife 2006: 173-182 |
2005 |
10 | EE | Peter Murray-Rust,
John B. O. Mitchell,
Henry S. Rzepa:
Chemistry in Bioinformatics.
BMC Bioinformatics 6: 141 (2005) |
9 | EE | Peter Murray-Rust,
John B. O. Mitchell,
Henry S. Rzepa:
Communication and re-use of chemical information in bioscience.
BMC Bioinformatics 6: 180 (2005) |
8 | EE | Gemma L. Holliday,
Gail J. Bartlett,
Daniel E. Almonacid,
Noel M. O'Boyle,
Peter Murray-Rust,
Janet M. Thornton,
John B. O. Mitchell:
MACiE: a database of enzyme reaction mechanisms.
Bioinformatics 21(23): 4315-4316 (2005) |
2003 |
7 | | Dushyanthan Puvanendrampillai,
John B. O. Mitchell:
Protein Ligand Database (PLD): additional understanding of the nature and specificity of protein-ligand complexes.
Bioinformatics 19(14): 1856-1857 (2003) |
2001 |
6 | EE | John B. O. Mitchell:
The Relationship between the Sequence Identities of Alpha Helical Proteins in the PDB and the Molecular Similarities of Their Ligands.
Journal of Chemical Information and Computer Sciences 41(6): 1617-1622 (2001) |
5 | 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 |
4 | 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) |
3 | 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) |
2 | 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) |
1994 |
1 | | Richard J. Wheatley,
John B. O. Mitchell:
Gaussian Multipoles in Practice: Electrostatic Energeis for Intermolecular Potentials.
Journal of Computational Chemistry 15(11): 1187-1198 (1994) |