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Disambiguation of "Piquemal, Jean-Philip"

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Polarizable molecular mechanics studies of Cu(I)/Zn(II) superoxide dismutase: Bimetallic binding site and structured waters.

, , , , , and . J. Comput. Chem., 35 (29): 2096-2106 (2014)

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Jean-Yves Piquemal

Nicolas Jeanvoine

Plasma-material interaction and electrode degradation in high voltage ignition discharges. Uni Saarbrücken, (2009)

Johann Jeanson

Helga Jeanblanc

Marc Jean-Richard-dit-Bressel

 

Other publications of authors with the same name

Binding of 5-phospho-D-arabinonohydroxamate and 5-phospho-D-arabinonate inhibitors to zinc phosphomannose isomerase from Candida albicans studied by polarizable molecular mechanics and quantum mechanics., , , , and . J. Comput. Chem., 28 (5): 938-957 (2007)Tinker-OpenMM: Absolute and relative alchemical free energies using AMOEBA on GPUs., , , , , , , and . J. Comput. Chem., 38 (23): 2047-2055 (2017)Raising the Performance of the Tinker-HP Molecular Modeling Package on Intel's HPC Architectures: a Living Review Article v1.0., , , , , and . CoRR, (2019)NCIPLOT: A Program for Plotting Noncovalent Interaction Regions, , , , , , and . Journal of Chemical Theory and Computation, (0)Complexes of a Zn-metalloenzyme binding site with hydroxamate-containing ligands. A case for detailed benchmarkings of polarizable molecular mechanics/dynamics potentials when the experimental binding structure is unknown., , , , , , , and . J. Comput. Chem., 37 (32): 2770-2782 (2016)Complexes of thiomandelate and captopril mercaptocarboxylate inhibitors to metallo-lactamase by polarizable molecular mechanics. Validation on model binding sites by quantum chemistry., , and . J. Comput. Chem., 26 (11): 1131-1147 (2005)Representation of Zn(II) complexes in polarizable molecular mechanics. Further refinements of the electrostatic and short-range contributions. Comparisons with parallel ab initio computations., , and . J. Comput. Chem., 26 (11): 1113-1130 (2005)Advancing beyond charge analysis using the electronic localization function: Chemically intuitive distribution of electrostatic moments., and . J. Comput. Chem., 29 (9): 1440-1449 (2008)Quantum-chemistry based calibration of the alkali metal cation series (Li+-Cs+) for large-scale polarizable molecular mechanics/dynamics simulations., , , , , and . J. Comput. Chem., 36 (5): 285-302 (2015)Many-body exchange-repulsion in polarizable molecular mechanics. I. orbital-based approximations and applications to hydrated metal cation complexes., , , and . J. Comput. Chem., 32 (14): 2949-2957 (2011)