Displaying 1 - 30 of 138 results.

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    • Speech
    Design of reduced point charge models for proteins
    Leherte, Laurence Vercauteren, Daniel P. (2014) 248th ACS National Meeting & Exposition —
    • Journal article
    Comparison of benzodiazepine-like compounds using topological analysis and genetic algorithms.
    Meurice, N. Leherte, Laurence Vercauteren, D.P. (1998) SAR and QSAR in environmental research — vol. 8, no. 3-4, p. 195-232 (2011)
    • Journal article
    Implementation of a Protein Reduced Point Charge Model Toward Molecular Dynamics Applications
    Leherte, Laurence Vercauteren, Daniel (2011) Journal of Physical Chemistry A — vol. 115, no. 45, p. 12531-12543 (2009)
    • Journal article
    Molecular scene analysis : Application of a topological approach to the automated interpretation of protein electron-density maps
    Leherte, Laurence Fortier, S. Glasgow, J. Allen, F.H. (1994) Acta crystallographica. Section D. Biological crystallography — vol. 50, no. 2, p. 155-166 (2011)
    • Journal article
    Can Descriptors of the Electron Density Distribution Help to Distinguish Functional Groups?
    Burton, Julien Meurice, Nathalie Leherte, Laurence Vercauteren, Daniel (2008) Journal of chemical information and modeling — vol. 48, no. 10, p. 1974-1983 (1980)
    • Journal article
    Structural Identification of Local Maxima in Low-Resolution Promolecular Electron Density Distributions
    Leherte, Laurence Dury, L. Vercauteren, D.P. (2003) Journal of Physical Chemistry A — vol. 107, no. 46, p. 9875-9886 (1984)
    • Journal article
    Energetics and diffusion of butene isomers in channel zeolites from molecular dynamics simulations
    Jousse, F. Leherte, Laurence Vercauteren, D.P. (1997) Journal of Molecular Catalysis A: Chemical — vol. 119, p. 165-176 (1997)
    • Journal article
    Dynamics of benzene in zeolite KL
    Hansenne, C. Jousse, F. Leherte, Laurence Vercauteren, D.P. (2001) Journal of Molecular Catalysis A: Chemical — vol. 166, no. 1, p. 147-165 (1999)
    • Journal article
    Coarse Point Charge Models for Proteins from Smoothed Molecular Electrostatic Potentials
    Leherte, Laurence Vercauteren, Daniel (2009) Journal of Chemical Theory and Computation — vol. 5, no. 12, p. 3279-3298 (2009)
    • Journal article
    Smoothed Gaussian Molecular Fields : An Evaluation of Molecular Alignment Problems
    Leherte, Laurence Vercauteren, Daniel (2012) Theoretical Chemistry Accounts: Theory, Computation, and Modeling — vol. 131, no. 8, p. 1259/1-16 (2009)
    • Journal article
    Collective Motions of Rigid Fragments in Protein Structures from Smoothed Electron Density Distributions
    Leherte, Laurence Vercauteren, Daniel (2008) Journal of computational chemistry — vol. 29, no. 9, p. 1472-1489 (2009)
    • Journal article
    Hierarchical analysis of promolecular full electron-density distributions : Description of protein structure fragments
    Leherte, Laurence (2004) Acta crystallographica. Section D. Biological crystallography — vol. 60, no. 7, p. 1254-1265 (2009)

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