Displaying 1 - 30 of 214 results.

Pages

    • 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
    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
    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
    DFT Investigation of CO Oxidation over Mg Exchanged Periodic Zeolite Models
    Rybakov, Andrey Larin, Alexandre ZHIDOMIROV, Georgii TRUBNIKOV, Dimitrii Vercauteren, Daniel (2011) Computational and Theoretical Chemistry — vol. 964, no. 1-3, p. 108-115 (2009)
    • Speech
    Design of reduced point charge models for proteins
    Leherte, Laurence Vercauteren, Daniel (2015) 7th International Theoretical Biophysics Symposium (TheoBio2015) —

Pages