Laurence Leherte
Orcid: 0000-0001-8468-5462
According to our database1,
Laurence Leherte
authored at least 20 papers
between 1991 and 2021.
Collaborative distances:
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Bibliography
2021
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
Proceedings of the Principles of Data Mining and Knowledge Discovery, 2000
1997
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
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