화학공학소재연구정보센터
검색결과 : 6건
No. Article
1 Reduced Point Charge Models of Proteins: Effect of Protein-Water Interactions in Molecular Dynamics Simulations of Ubiquitin Systems
Leherte L, Vercauteren DP
Journal of Physical Chemistry B, 121(42), 9771, 2017
2 Implementation of a Protein Reduced Point Charge Model toward Molecular Dynamics Applications
Leherte L, Vercauteren DP
Journal of Physical Chemistry A, 115(45), 12531, 2011
3 Confinement in molecular sieves: The pioneering physical concepts
Lucas AA, Derycke I, Lambin P, Vigneron JP, Leherte L, Elanany M, Andre JM, Larin AV, Vercauteren DP
Journal of Molecular Catalysis A-Chemical, 305(1-2), 16, 2009
4 Structural identification of local maxima in low-resolution promolecular electron density distributions
Leherte L, Dury L, Vercauteren DP
Journal of Physical Chemistry A, 107(46), 9875, 2003
5 Dynamics of benzene in zeolite KL
Hansenne C, Jousse F, Leherte L, Vercauteren DP
Journal of Molecular Catalysis A-Chemical, 166(1), 147, 2001
6 Analysis of MD Trajectories as a Jump Diffusion Process - Butene Isomers in Zeolite Types Ton and Mel
Jousse F, Leherte L, Vercauteren DP
Journal of Physical Chemistry B, 101(24), 4717, 1997