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Computers & Chemistry
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October 19, 2002
Application of a Kohonen neural network to the analysis of data regarding the alkylation of toluene with methanol catalyzed by ZSM-5 type zeolites
J Petit, J Zupan, L Leherte, et al.
Acta Crystallographica. Section D, Biological Crystallography
|
December 4, 2003
Description of protein-DNA complexes in terms of electron-density topological features
Andy Becue, Nathalie Meurice, Laurence Leherte, et al.
Journal of Computational Chemistry
|
March 8, 2007
Quick scheme for evaluation of atomic charges in arbitrary aluminophosphate sieves on the basis of electron densities calculated with DFT methods
A V Larin, W J Mortier, D P Vercauteren
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 22, 2014
Modeling of structural, energetic, and dynamic properties of few-atom silver clusters embedded in polynucleotide strands by using molecular dynamics
Nicolas Staelens, Laurence Leherte, Benoît Champagne, et al.
Plos One
|
December 31, 2014
On the modularity of the intrinsic flexibility of the µ opioid receptor: a computational study
Mathieu Fossépré, Laurence Leherte, Aatto Laaksonen, et al.
Journal of Molecular Modeling
|
August 28, 2016
Multiscale design of coarse-grained elastic network-based potentials for the μ opioid receptor
Mathieu Fossépré, Laurence Leherte, Aatto Laaksonen, et al.
Journal of Computational Chemistry
|
April 30, 2004
Evaluation of the protein solvent-accessible surface using reduced representations in terms of critical points of the electron density
A Becue, N Meurice, L Leherte, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 29, 2017
CO diffusion as a re-orientation mechanism in the NaY zeolite
A A Rybakov, A V Larin, D P Vercauteren
The Journal of Physical Chemistry. B
|
March 24, 2010
Molecular dynamics simulation of 8-oxoguanine containing DNA fragments reveals altered hydration and ion binding patterns
Aymeric Naômé, Patric Schyman, Aatto Laaksonen, et al.
Journal of Computational Chemistry
|
June 7, 2007
Electric field convergence versus atomic basis sets in all-siliceous zeolites
A V Larin, D N Trubnikov, D P Vercauteren
Page
of 10
Search research articles
Search
Showing results (31-40 of 97) with videos related to
Sort By:
Page
of 10
Computers & Chemistry
|
October 19, 2002
Application of a Kohonen neural network to the analysis of data regarding the alkylation of toluene with methanol catalyzed by ZSM-5 type zeolites
J Petit, J Zupan, L Leherte, et al.
Acta Crystallographica. Section D, Biological Crystallography
|
December 4, 2003
Description of protein-DNA complexes in terms of electron-density topological features
Andy Becue, Nathalie Meurice, Laurence Leherte, et al.
Journal of Computational Chemistry
|
March 8, 2007
Quick scheme for evaluation of atomic charges in arbitrary aluminophosphate sieves on the basis of electron densities calculated with DFT methods
A V Larin, W J Mortier, D P Vercauteren
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 22, 2014
Modeling of structural, energetic, and dynamic properties of few-atom silver clusters embedded in polynucleotide strands by using molecular dynamics
Nicolas Staelens, Laurence Leherte, Benoît Champagne, et al.
Plos One
|
December 31, 2014
On the modularity of the intrinsic flexibility of the µ opioid receptor: a computational study
Mathieu Fossépré, Laurence Leherte, Aatto Laaksonen, et al.
Journal of Molecular Modeling
|
August 28, 2016
Multiscale design of coarse-grained elastic network-based potentials for the μ opioid receptor
Mathieu Fossépré, Laurence Leherte, Aatto Laaksonen, et al.
Journal of Computational Chemistry
|
April 30, 2004
Evaluation of the protein solvent-accessible surface using reduced representations in terms of critical points of the electron density
A Becue, N Meurice, L Leherte, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 29, 2017
CO diffusion as a re-orientation mechanism in the NaY zeolite
A A Rybakov, A V Larin, D P Vercauteren
The Journal of Physical Chemistry. B
|
March 24, 2010
Molecular dynamics simulation of 8-oxoguanine containing DNA fragments reveals altered hydration and ion binding patterns
Aymeric Naômé, Patric Schyman, Aatto Laaksonen, et al.
Journal of Computational Chemistry
|
June 7, 2007
Electric field convergence versus atomic basis sets in all-siliceous zeolites
A V Larin, D N Trubnikov, D P Vercauteren
Page
of 10