Marie-Céline van Severen, Ph.D.

Affiliations: 
2016- Chemistry Solliq 
Area:
Chemistry
Website:
http://www.solliq.com/
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"Marie-Céline van Severen"
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Olivier Parisel grad student 2006-2009 Université Pierre et Marie Curie
 ( Apports théoriques à la compréhension du comportement de la paire de valence du cation Pb2+ )
Jean-Philip Piquemal grad student 2006-2009 Université Pierre et Marie Curie
 ( Apports théoriques à la compréhension du comportement de la paire de valence du cation Pb2+ )
Ulf Ryde post-doc 2009-2011 Université Pierre et Marie Curie
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Publications

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Caldararu O, Feldt M, Cioloboc D, et al. (2018) QM/MM study of the reaction mechanism of sulfite oxidase. Scientific Reports. 8: 4684
van Severen MC, Andreji? M, Li J, et al. (2014) A quantum-mechanical study of the reaction mechanism of sulfite oxidase. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. 19: 1165-79
Van Severen MC, Ryde U, Parisel O, et al. (2013) Understanding the Chemistry of Lead at a Molecular Level: The Pb(II) 6s6p Lone Pair Can Be Bisdirected in Proteins. Journal of Chemical Theory and Computation. 9: 2416-24
Van Severen MC, Ryde U, Parisel O, et al. (2013) Understanding the chemistry of lead at a molecular level: The Pb(II) 6s6p lone pair can be bisdirected in proteins Journal of Chemical Theory and Computation. 9: 2416-2424
Chaudret R, De Courcy B, Marjolin A, et al. (2012) Unraveling interactions in large complex systems using quantum chemistry interpretative techniques and new generation polarizable force fields Aip Conference Proceedings. 1504: 699-702
Van Severen MC, Chaudret R, Parisel O, et al. (2012) Toward a ligand specific of Pb 2+ with respect to the Zn 2+ and Ca 2+ cations: A track from quantum chemistry Chemical Physics Letters. 532: 9-12
Devereux M, van Severen MC, Parisel O, et al. (2011) Role of Cation Polarization in holo- and hemi-Directed [Pb(H2O)n](2+) Complexes and Development of a Pb(2+) Polarizable Force Field. Journal of Chemical Theory and Computation. 7: 138-147
Devereux M, Van Severen MC, Parisel O, et al. (2011) Role of cation polarization in holo- and hemi- directed [Pb(H 2O)n]2+ complexes and development of a Pb 2+ polarizable force field Journal of Chemical Theory and Computation. 7: 138-147
Van Severen MC, Piquemal JP, Parisel O. (2011) Enforcing hemidirectionality in Pb(II) complexes: The importance of anionic ligands Chemical Physics Letters. 510: 27-30
van Severen MC, Piquemal JP, Parisel O. (2010) Lead substitution in synaptotagmin: a case study. The Journal of Physical Chemistry. B. 114: 4005-9
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