2008 |
15 | EE | Laurence Leherte,
Daniel P. Vercauteren:
Collective motions in protein structures: Applications of elastic network models built from electron density distributions.
Computer Physics Communications 179(1-3): 171-180 (2008) |
14 | EE | Laurence Leherte,
Daniel P. Vercauteren:
Collective motions of rigid fragments in protein structures from smoothed electron density distributions.
Journal of Computational Chemistry 29(9): 1472-1489 (2008) |
2006 |
13 | EE | Laurence Leherte:
Similarity measures based on Gaussian-type promolecular electron density models: Alignment of small rigid molecules.
Journal of Computational Chemistry 27(15): 1800-1816 (2006) |
2004 |
12 | EE | John Binamé,
Nathalie Meurice,
Laurence Leherte,
Janice I. Glasgow,
Suzanne Fortier,
Daniel P. Vercauteren:
Use of Electron Density Critical Points as Chemical Function-Based Reduced Representations of Pharmacological Ligands.
Journal of Chemical Information and Modeling 44(4): 1394-1401 (2004) |
2002 |
11 | EE | Joachim Petit,
Jure Zupan,
Laurence Leherte,
Daniel P. Vercauteren:
Application of a Kohonen Neural Network to the Analysis of Data Regarding the Alkylation of Toluene with Methanol Catalyzed by ZSM-5Type Zeolites.
Computers & Chemistry 26(6): 557-572 (2002) |
2001 |
10 | EE | Laurent Dury,
Thibaud Latour,
Laurence Leherte,
Frédéric Barberis,
Daniel P. Vercauteren:
A New Graph Descriptor for Molecules Containing Cycles. Application as Screening Criterion for Searching Molecular Structures within Large Databases of Organic Compounds.
Journal of Chemical Information and Computer Sciences 41(6): 1437-1445 (2001) |
2000 |
9 | EE | Laurent Dury,
Laurence Leherte,
Daniel P. Vercauteren:
Determination of Screening Descriptors for Chemical Reaction Databases.
PKDD 2000: 388-394 |
8 | EE | Laurence Leherte,
Nathalie Meurice,
Daniel P. Vercauteren:
Critical Point Representations of Electron Density Maps for the Comparison of Benzodiazepine-Type Ligands.
Journal of Chemical Information and Computer Sciences 40(3): 816-832 (2000) |
1997 |
7 | | M. Sullivan,
Janice I. Glasgow,
Evan W. Steeg,
Laurence Leherte,
Suzanne Fortier:
Protein Model Representation and Construction.
ISMB 1997: 307-310 |
6 | EE | Laurence Leherte,
Janice I. Glasgow,
Kim Baxter,
Evan W. Steeg,
Suzanne Fortier:
Analysis of Three-Dimensional Protein Images
CoRR cs.AI/9710101: (1997) |
5 | | Laurence Leherte,
Janice I. Glasgow,
Kim Baxter,
Evan W. Steeg,
Suzanne Fortier:
Analysis of Three-Dimensional Protein Images.
J. Artif. Intell. Res. (JAIR) 7: 125-159 (1997) |
1996 |
4 | | Laurence Leherte,
Thibaud Latour,
Daniel P. Vercauteren:
Similarity and complementarity of molecular shapes: Applicability of a topological analysis approach.
Journal of Computer-Aided Molecular Design 10(1): 55-66 (1996) |
1994 |
3 | | Laurence Leherte,
Kim Baxter,
Janice I. Glasgow,
Suzanne Fortier:
Segmentation and Interpretation of 3D Protein Images.
ISMB 1994: 261-268 |
2 | | Laurence Leherte,
Frank H. Allen:
Shape information from a critical point analysis of calculated electron density maps: Application to DNA-drug systems.
Journal of Computer-Aided Molecular Design 8(3): 257-272 (1994) |
1991 |
1 | EE | Laurence Leherte,
Jean-Marie Andre,
Eric G. Derouane,
Daniel P. Vercauteren:
Study of the Water Behavior into a Ferrierite Zeolite by Molecular Dynamics Simulations.
Computers & Chemistry 15(3): 273-285 (1991) |