Laurence Leherte

Orcid: 0000-0001-8468-5462

According to our database1, Laurence Leherte authored at least 20 papers between 1991 and 2021.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of five.

Timeline

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Bibliography

2021
Structure-based identification of inhibitors disrupting the CD2-CD58 interactions.
J. Comput. Aided Mol. Des., 2021

2018
Investigating cyclic peptides inhibiting CD2-CD58 interactions through molecular dynamics and molecular docking methods.
J. Comput. Aided Mol. Des., 2018

2016
Parameterization of the ReaxFF reactive force field for a proline-catalyzed aldol reaction.
J. Comput. Chem., 2016

2011
Charge density distributions derived from smoothed electrostatic potential functions: design of protein reduced point charge models.
J. Comput. Aided Mol. Des., 2011

2008
Can Descriptors of the Electron Density Distribution Help To Distinguish Functional Groups?
J. Chem. Inf. Model., 2008

Collective motions of rigid fragments in protein structures from smoothed electron density distributions.
J. Comput. Chem., 2008

Collective motions in protein structures: Applications of elastic network models built from electron density distributions.
Comput. Phys. Commun., 2008

2006
Similarity measures based on Gaussian-type promolecular electron density models: Alignment of small rigid molecules.
J. Comput. Chem., 2006

2005
Influence of conformation on the representation of small flexible molecules at low resolution: alignment of endothiapepsin ligands.
J. Comput. Aided Mol. Des., 2005

2004
Use of Electron Density Critical Points as Chemical Function-Based Reduced Representations of Pharmacological Ligands.
J. Chem. Inf. Model., 2004

2002
Application of a Kohonen Neural Network to the Analysis of Data Regarding the Alkylation of Toluene with Methanol Catalyzed by ZSM-5Type Zeolites.
Comput. Chem., 2002

2001
A New Graph Descriptor for Molecules Containing Cycles. Application as Screening Criterion for Searching Molecular Structures within Large Databases of Organic Compounds.
J. Chem. Inf. Comput. Sci., 2001

2000
Critical Point Representations of Electron Density Maps for the Comparison of Benzodiazepine-Type Ligands.
J. Chem. Inf. Comput. Sci., 2000

Determination of Screening Descriptors for Chemical Reaction Databases.
Proceedings of the Principles of Data Mining and Knowledge Discovery, 2000

1997
Analysis of Three-Dimensional Protein Images.
J. Artif. Intell. Res., 1997

Protein Model Representation and Construction.
Proceedings of the 5th International Conference on Intelligent Systems for Molecular Biology, 1997

1996
Similarity and complementarity of molecular shapes: Applicability of a topological analysis approach.
J. Comput. Aided Mol. Des., 1996

1994
Shape information from a critical point analysis of calculated electron density maps: Application to DNA-drug systems.
J. Comput. Aided Mol. Des., 1994

Segmentation and Interpretation of 3D Protein Images.
Proceedings of the Second International Conference on Intelligent Systems for Molecular Biology, 1994

1991
Study of the Water Behavior into a Ferrierite Zeolite by Molecular Dynamics Simulations.
Comput. Chem., 1991


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