Daniel P. Vercauteren

Laurence Leherte, Daniel P. Vercauteren: Charge density distributions derived from smoothed electrostatic potential functions: design of protein reduced point charge models. Journal of Computer-Aided Molecular Design 25(10): 913-930 (2011)

Alexander V. Larin, G. M. Zhidomirov, D. N. Trubnikov, Daniel P. Vercauteren: Ion-exchanged binuclear Ca₂O_X clusters, X = 1-4, as active sites of selective oxidation over MOR and FAU zeolites. Journal of Computational Chemistry 31(2): 421-430 (2010)

Laurence Leherte, Daniel P. Vercauteren: Collective motions in protein structures: Applications of elastic network models built from electron density distributions. Computer Physics Communications 179(1-3): 171-180 (2008)

Alexander V. Larin, D. N. Trubnikov, Daniel P. Vercauteren: Electric field convergence versus atomic basis sets in all-siliceous zeolites. Journal of Computational Chemistry 29(1): 130-138 (2008)

Laurence Leherte, Daniel P. Vercauteren: Collective motions of rigid fragments in protein structures from smoothed electron density distributions. Journal of Computational Chemistry 29(9): 1472-1489 (2008)

Alexander V. Larin, W. J. Mortier, Daniel P. Vercauteren: Quick scheme for evaluation of atomic charges in arbitrary aluminophosphate sieves on the basis of electron densities calculated with DFT methods. Journal of Computational Chemistry 28(10): 1695-1703 (2007)

John Binamé, Nathalie Meurice, Laurence Leherte, Janice I. Glasgow, Suzanne Fortier, Daniel P. Vercauteren: Use of Electron Density Critical Points as Chemical Function-Based Reduced Representations of Pharmacological Ligands. Journal of Chemical Information and Modeling 44(4): 1394-1401 (2004)

Joachim Petit, Jure Zupan, Laurence Leherte, Daniel P. Vercauteren: Application of a Kohonen Neural Network to the Analysis of Data Regarding the Alkylation of Toluene with Methanol Catalyzed by ZSM-5Type Zeolites. Computers & Chemistry 26(6): 557-572 (2002)

Laurent Dury, Thibaud Latour, Laurence Leherte, Frédéric Barberis, Daniel P. Vercauteren: A New Graph Descriptor for Molecules Containing Cycles. Application as Screening Criterion for Searching Molecular Structures within Large Databases of Organic Compounds. Journal of Chemical Information and Computer Sciences 41(6): 1437-1445 (2001)

Laurence Leherte, Nathalie Meurice, Daniel P. Vercauteren: Critical Point Representations of Electron Density Maps for the Comparison of Benzodiazepine-Type Ligands. Journal of Chemical Information and Computer Sciences 40(3): 816-832 (2000)

Laurent Dury, Laurence Leherte, Daniel P. Vercauteren: Determination of Screening Descriptors for Chemical Reaction Databases. PKDD 2000: 388-394

Laurence Leherte, Thibaud Latour, Daniel P. Vercauteren: Similarity and complementarity of molecular shapes: Applicability of a topological analysis approach. Journal of Computer-Aided Molecular Design 10(1): 55-66 (1996)

Laurence Leherte, Jean-Marie Andre, Eric G. Derouane, Daniel P. Vercauteren: Study of the Water Behavior into a Ferrierite Zeolite by Molecular Dynamics Simulations. Computers & Chemistry 15(3): 273-285 (1991)