Laurence Leherte

发表

Influence of conformation on the representation of small flexible molecules at low resolution: alignment of endothiapepsin ligands

Daniel P. Vercauteren, Laurence Leherte, Nathalie Meurice, 2005, J. Comput. Aided Mol. Des..

Analysis of Three-Dimensional Protein Images

Janice I. Glasgow, Laurence Leherte, Kim Baxter, 1997, J. Artif. Intell. Res..

Elaboration of an Original Genetic Algorithm Approach Dedicated to the Study of Molecular Similarity

Daniel P. Vercauteren, Laurence Leherte, Nathalie Meurice, 1997 .

A New Graph Descriptor for Molecules Containing Cycles. Application as Screening Criterion for Searching Molecular Structures within Large Databases of Organic Compounds

Thibaud Latour, Daniel P. Vercauteren, Laurence Leherte, 2001, J. Chem. Inf. Comput. Sci..

Segmentation and Interpretation of 3D Protein Images

Janice I. Glasgow, Laurence Leherte, Kim Baxter, 1994, ISMB.

Collective motions of rigid fragments in protein structures from smoothed electron density distributions

Daniel P. Vercauteren, Laurence Leherte, D. P. Vercauteren, 2008, J. Comput. Chem..

On the intrinsic flexibility of the opioid receptor through multiscale modeling approaches

Daniel P. Vercauteren, Laurence Leherte, Mathieu Fossepre, 2016 .

Laurence Leherte, L. Leherte, 2006, J. Comput. Chem..

Shape information from a critical point analysis of calculated electron density maps: Application to DNA-drug systems

Frank H. Allen, Laurence Leherte, F. Allen, 1994, J. Comput. Aided Mol. Des..

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

Daniel P. Vercauteren, Laurence Leherte, Jure Zupan, 2002, Comput. Chem..

Investigating cyclic peptides inhibiting CD2–CD58 interactions through molecular dynamics and molecular docking methods

Denis Jacquemin, Daniel P. Vercauteren, Laurence Leherte, 2018, Journal of Computer-Aided Molecular Design.

Critical Point Representations of Electron Density Maps for the Comparison of Benzodiazepine-Type Ligands

Daniel P. Vercauteren, Laurence Leherte, Nathalie Meurice, 2000, J. Chem. Inf. Comput. Sci..

Parameterization of the ReaxFF reactive force field for a proline‐catalyzed aldol reaction

Denis Jacquemin, Daniel P. Vercauteren, Laurence Leherte, 2016, J. Comput. Chem..

Thibaud Latour, Daniel P. Vercauteren, Laurence Leherte, 1996, J. Comput. Aided Mol. Des..

Protein Model Representation and Construction

Janice I. Glasgow, Laurence Leherte, Evan W. Steeg, 1997, ISMB.

Determination of Screening Descriptors for Chemical Reaction Databases

Daniel P. Vercauteren, Laurence Leherte, Laurent Dury, 2000, PKDD.

Charge density distributions derived from smoothed electrostatic potential functions: design of protein reduced point charge models

Daniel P. Vercauteren, Laurence Leherte, D. P. Vercauteren, 2011, J. Comput. Aided Mol. Des..

Collective motions in protein structures: Applications of elastic network models built from electron density distributions

Daniel P. Vercauteren, Laurence Leherte, D. P. Vercauteren, 2008, Comput. Phys. Commun..

Study of the Water Behavior into a Ferrierite Zeolite by Molecular Dynamics Simulations

Daniel P. Vercauteren, Laurence Leherte, Jean-Marie André, 1991, Comput. Chem..

Can Descriptors of the Electron Density Distribution Help To Distinguish Functional Groups?

Daniel P. Vercauteren, Laurence Leherte, Nathalie Meurice, 2008, J. Chem. Inf. Model..

Coarse Point Charge Models For Proteins From Smoothed Molecular Electrostatic Potentials.

Laurence Leherte, Daniel P Vercauteren, 2009, Journal of chemical theory and computation.

Use of Electron Density Critical Points as Chemical Function-Based Reduced Representations of Pharmacological Ligands

Janice I. Glasgow, Daniel P. Vercauteren, Laurence Leherte, 2004, J. Chem. Inf. Model..

Ab initio quantum chemical and ReaxFF-based study of the intramolecular iminium–enamine conversion in a proline-catalyzed reaction

Denis Jacquemin, Daniel P. Vercauteren, Laurence Leherte, 2012, Theoretical Chemistry Accounts.

Topological analysis of electron density maps of chiral cyclodextrin-guest complexes: a steric interaction evaluation

Daniel P. Vercauteren, Laurence Leherte, D. P. Vercauteren, 1995 .

Molecular scene analysis: a topological approach for the automated interpretation of protein electron density maps

Janice I. Glasgow, Laurence Leherte, Suzanne Fortier, 1993 .

Critical point analysis in protein density-map interpretation

Janice I. Glasgow, Laurence Leherte, Suzanne Fortier, 1996 .

Critical Point Analysis of Calculated Electron Density Maps at Medium Resolution: Application to Shape Analysis of Zeolite-Like Systems

Daniel P. Vercauteren, Laurence Leherte, 1997 .

Energetics and diffusion of butene isomers in channel zeolites from molecular dynamics simulations

Daniel P. Vercauteren, Laurence Leherte, F. Jousse, 1997 .