Marie-Céline van Severen, Ph.D. - Publications

Affiliations: 
2016- Chemistry Solliq 
Area:
Chemistry
Website:
http://www.solliq.com/

14 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2018 Caldararu O, Feldt M, Cioloboc D, van Severen MC, Starke K, Mata RA, Nordlander E, Ryde U. QM/MM study of the reaction mechanism of sulfite oxidase. Scientific Reports. 8: 4684. PMID 29549261 DOI: 10.1038/s41598-018-22751-6  1
2014 van Severen MC, Andreji? M, Li J, Starke K, Mata RA, Nordlander E, Ryde U. 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. PMID 24957901 DOI: 10.1007/s00775-014-1172-z  1
2013 Van Severen MC, Ryde U, Parisel O, Piquemal JP. 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. PMID 26583732 DOI: 10.1021/ct300524v  1
2013 Van Severen MC, Ryde U, Parisel O, Piquemal JP. 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. DOI: 10.1021/ct300524v  1
2012 Chaudret R, De Courcy B, Marjolin A, Van Severen MC, Ren PY, Wu JC, Parisel O, Piquemal JP. Unraveling interactions in large complex systems using quantum chemistry interpretative techniques and new generation polarizable force fields Aip Conference Proceedings. 1504: 699-702. DOI: 10.1063/1.4771791  1
2012 Van Severen MC, Chaudret R, Parisel O, Piquemal JP. 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. DOI: 10.1016/j.cplett.2012.02.037  1
2011 Devereux M, van Severen MC, Parisel O, Piquemal JP, Gresh N. 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. PMID 26606227 DOI: 10.1021/ct1004005  1
2011 Devereux M, Van Severen MC, Parisel O, Piquemal JP, Gresh N. 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. DOI: 10.1021/ct1004005  1
2011 Van Severen MC, Piquemal JP, Parisel O. Enforcing hemidirectionality in Pb(II) complexes: The importance of anionic ligands Chemical Physics Letters. 510: 27-30. DOI: 10.1016/j.cplett.2011.04.096  1
2010 van Severen MC, Piquemal JP, Parisel O. Lead substitution in synaptotagmin: a case study. The Journal of Physical Chemistry. B. 114: 4005-9. PMID 20192256 DOI: 10.1021/jp910131r  1
2010 van Severen MC, Gourlaouen C, Parisel O. Application of the topological analysis of the electronic localization function to archetypical [Pb(II)Ln]p complexes: the bonding of Pb2+ revisited. Journal of Computational Chemistry. 31: 185-94. PMID 19421998 DOI: 10.1002/jcc.21309  1
2008 Chaume G, Van Severen MC, Ricard L, Brigaud T. Concise access to enantiopure (S)- and (R)-α-trifluoromethyl pyroglutamic acids from ethyl trifluoropyruvate-based chiral CF3-oxazolidines (Fox) Journal of Fluorine Chemistry. 129: 1104-1109. DOI: 10.1016/j.jfluchem.2008.07.019  1
2008 Piquemal JP, Pilmé J, Parisel O, Gérard H, Fourré I, Bergés J, Gourlaouen C, De La Lande A, Van Severen MC, Silvi B. What can be learnt on biologically relevant systems from the topological analysis of the electron localization function? International Journal of Quantum Chemistry. 108: 1951-1969. DOI: 10.1002/qua.21711  1
2006 Chaume G, Van Severen MC, Marinkovic S, Brigaud T. Straightforward synthesis of (S)- and (R)-alpha-trifluoromethyl proline from chiral oxazolidines derived from ethyl trifluoropyruvate. Organic Letters. 8: 6123-6. PMID 17165945 DOI: 10.1021/ol062593+  1
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