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The Journal of Physical Chemistry. B
|
February 24, 2006
Structure and function of vanadium haloperoxidases
Simone Raugei, Paolo Carloni
Journal of the American Chemical Society
|
September 17, 2004
Nuclear quantum effects and hydrogen bonding in liquids
Simone Raugei, Michael L Klein
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 13, 2004
On the quantum nature of an excess proton in liquid hydrogen fluoride
Simone Raugei, Michael L Klein
Journal of the American Chemical Society
|
December 2, 2004
A proficient enzyme: insights on the mechanism of orotidine monophosphate decarboxylase from computer simulations
Simone Raugei, Michele Cascella, Paolo Carloni
Journal of Chemical Theory and Computation
|
September 21, 2021
Quantitative Account of the Bonding Properties of a Rubredoxin Model Complex [Fe(SCH<sub>3</sub>)<sub>4</sub>]<sup></sup>, <i>q</i> = -2, -1, +2, +3
Demeter Tzeli, Simone Raugei, Sotiris S Xantheas
Biophysical Journal
|
February 25, 2021
Atomistic insight on structure and dynamics of spinach acyl carrier protein with substrate length
Marcel D Baer, John Shanklin, Simone Raugei
Inorganic Chemistry
|
February 14, 2006
Structure and bonding in monomeric iron(III) complexes with terminal oxo and hydroxo ligands
Josè Gracia Budrìa, Simone Raugei, Luigi Cavallo
Journal of Chemical Theory and Computation
|
November 28, 2015
Ab Initio Raman Spectra of β-Lactamase Inhibitor Intermediates Bound to E166A SHV β-Lactamase
Andrea Miani, Marion Skalweit Helfand, Simone Raugei
Proceedings of the National Academy of Sciences of the United States of America
|
October 26, 2018
Critical computational analysis illuminates the reductive-elimination mechanism that activates nitrogenase for N<sub>2</sub> reduction
Simone Raugei, Lance C Seefeldt, Brian M Hoffman
Journal of Chemical Theory and Computation
|
December 1, 2015
Molecular Dynamics in Physiological Solutions: Force Fields, Alkali Metal Ions, and Ionic Strength
Chao Zhang, Simone Raugei, Bob Eisenberg, et al.
Page
of 11
Search research articles
Search
Showing results (1-10 of 101) with videos related to
Sort By:
Page
of 11
The Journal of Physical Chemistry. B
|
February 24, 2006
Structure and function of vanadium haloperoxidases
Simone Raugei, Paolo Carloni
Journal of the American Chemical Society
|
September 17, 2004
Nuclear quantum effects and hydrogen bonding in liquids
Simone Raugei, Michael L Klein
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 13, 2004
On the quantum nature of an excess proton in liquid hydrogen fluoride
Simone Raugei, Michael L Klein
Journal of the American Chemical Society
|
December 2, 2004
A proficient enzyme: insights on the mechanism of orotidine monophosphate decarboxylase from computer simulations
Simone Raugei, Michele Cascella, Paolo Carloni
Journal of Chemical Theory and Computation
|
September 21, 2021
Quantitative Account of the Bonding Properties of a Rubredoxin Model Complex [Fe(SCH<sub>3</sub>)<sub>4</sub>]<sup></sup>, <i>q</i> = -2, -1, +2, +3
Demeter Tzeli, Simone Raugei, Sotiris S Xantheas
Biophysical Journal
|
February 25, 2021
Atomistic insight on structure and dynamics of spinach acyl carrier protein with substrate length
Marcel D Baer, John Shanklin, Simone Raugei
Inorganic Chemistry
|
February 14, 2006
Structure and bonding in monomeric iron(III) complexes with terminal oxo and hydroxo ligands
Josè Gracia Budrìa, Simone Raugei, Luigi Cavallo
Journal of Chemical Theory and Computation
|
November 28, 2015
Ab Initio Raman Spectra of β-Lactamase Inhibitor Intermediates Bound to E166A SHV β-Lactamase
Andrea Miani, Marion Skalweit Helfand, Simone Raugei
Proceedings of the National Academy of Sciences of the United States of America
|
October 26, 2018
Critical computational analysis illuminates the reductive-elimination mechanism that activates nitrogenase for N<sub>2</sub> reduction
Simone Raugei, Lance C Seefeldt, Brian M Hoffman
Journal of Chemical Theory and Computation
|
December 1, 2015
Molecular Dynamics in Physiological Solutions: Force Fields, Alkali Metal Ions, and Ionic Strength
Chao Zhang, Simone Raugei, Bob Eisenberg, et al.
Page
of 11