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The Journal of Chemical Physics
|
October 5, 2010
Importance of backdonation in [M-(CO)]p+ complexes isoelectronic to [Au-(CO)]+
C Gourlaouen, O Parisel, J-P Piquemal
The Journal of Physical Chemistry. B
|
March 3, 2010
Lead substitution in synaptotagmin: a case study
M-C van Severen, J-P Piquemal, O Parisel
Interdisciplinary Sciences, Computational Life Sciences
|
April 17, 2010
Study of the docking of competitive inhibitors at a model of tyrosinase active site: insights from joint broken-symmetry/Spin-Flip DFT computations and ELF topological analysis
A de la Lande, J Maddaluno, O Parisel, et al.
Journal of Chemical Theory and Computation
|
April 27, 2010
Understanding selectivity of hard and soft metal cations within biological systems using the subvalence concept. I. Application to blood coagulation: direct cation-protein electronic effects vs. indirect interactions through water networks
B de Courcy, L G Pedersen, O Parisel, et al.
International Journal of Quantum Chemistry
|
July 17, 2009
Simple Formulas for Improved Point-Charge Electrostatics in Classical Force Fields and Hybrid Quantum Mechanical/Molecular Mechanical Embedding
G A Cisneros, S Na-Im Tholander, O Parisel, et al.
Science (New York, N.Y.)
|
February 7, 2001
First solvation shell of the Cu(II) aqua ion: evidence for fivefold coordination
A Pasquarello, I Petri, P S Salmon, et al.
Journal of the American Chemical Society
|
August 7, 2010
Gas-phase folding of a two-residue model peptide chain: on the importance of an interplay between experiment and theory
E Gloaguen, B de Courcy, J-P Piquemal, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
October 5, 2010
Importance of backdonation in [M-(CO)]p+ complexes isoelectronic to [Au-(CO)]+
C Gourlaouen, O Parisel, J-P Piquemal
The Journal of Physical Chemistry. B
|
March 3, 2010
Lead substitution in synaptotagmin: a case study
M-C van Severen, J-P Piquemal, O Parisel
Interdisciplinary Sciences, Computational Life Sciences
|
April 17, 2010
Study of the docking of competitive inhibitors at a model of tyrosinase active site: insights from joint broken-symmetry/Spin-Flip DFT computations and ELF topological analysis
A de la Lande, J Maddaluno, O Parisel, et al.
Journal of Chemical Theory and Computation
|
April 27, 2010
Understanding selectivity of hard and soft metal cations within biological systems using the subvalence concept. I. Application to blood coagulation: direct cation-protein electronic effects vs. indirect interactions through water networks
B de Courcy, L G Pedersen, O Parisel, et al.
International Journal of Quantum Chemistry
|
July 17, 2009
Simple Formulas for Improved Point-Charge Electrostatics in Classical Force Fields and Hybrid Quantum Mechanical/Molecular Mechanical Embedding
G A Cisneros, S Na-Im Tholander, O Parisel, et al.
Science (New York, N.Y.)
|
February 7, 2001
First solvation shell of the Cu(II) aqua ion: evidence for fivefold coordination
A Pasquarello, I Petri, P S Salmon, et al.
Journal of the American Chemical Society
|
August 7, 2010
Gas-phase folding of a two-residue model peptide chain: on the importance of an interplay between experiment and theory
E Gloaguen, B de Courcy, J-P Piquemal, et al.
Page
of 1