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Robin Chaudret

Showing results (1-10 of 16) with videos related to

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The Journal of Chemical Physics|February 8, 2013
Pseudobond parameters for QM/MM studies involving nucleosides, nucleotides, and their analogsRobin Chaudret, Jerry M Parks, Weitao Yang
Journal of Chemical Theory and Computation|July 30, 2013
Noncovalent Interaction Analysis in Fluctuating EnvironmentsPan Wu, Robin Chaudret, Xiangqian Hu, et al.
Physical Chemistry Chemical Physics : PCCP|May 14, 2011
Correlation between electron localization and metal ion mutagenicity in DNA synthesis from QM/MM calculationsRobin Chaudret, Jean-Philip Piquemal, G Andrés Cisneros
Journal of Computational Chemistry|July 28, 2011
Many-body exchange-repulsion in polarizable molecular mechanics. I. Orbital-based approximations and applications to hydrated metal cation complexesRobin Chaudret, Nohad Gresh, Olivier Parisel, et al.
Journal of Chemical Theory and Computation|November 25, 2015
Electron Pair Localization Function (EPLF) for Density Functional Theory and ab Initio Wave Function-Based Methods: A New Tool for Chemical InterpretationAnthony Scemama, Michel Caffarel, Robin Chaudret, et al.
Journal of Chemical Theory and Computation|November 20, 2015
Toward a Deeper Understanding of Enzyme Reactions Using the Coupled ELF/NCI Analysis: Application to DNA Repair EnzymesDong Fang, Robin Chaudret, Jean-Philip Piquemal, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|February 11, 2011
Unraveling low-barrier hydrogen bonds in complex systems with a simple quantum topological criterionRobin Chaudret, G Andrés Cisneros, Olivier Parisel, et al.
The FEBS Journal|January 30, 2013
QM/MM modelling of ketosteroid isomerase reactivity indicates that active site closure is integral to catalysisMarc W van der Kamp, Robin Chaudret, Adrian J Mulholland
Journal of Chemical Theory and Computation|December 1, 2010
Polarizable molecular dynamics simulation of Zn(II) in water using the AMOEBA force fieldJohnny C Wu, Jean-Philip Piquemal, Robin Chaudret, et al.
The Journal of Physical Chemistry. B|March 16, 2012
Catalytic mechanism of 4-oxalocrotonate tautomerase: significances of protein-protein interactions on proton transfer pathwaysPan Wu, G Andrés Cisneros, Hao Hu, et al.
Pageof 2

Showing results (1-10 of 16) with videos related to

Sort By:
Pageof 2
The Journal of Chemical Physics|February 8, 2013
Pseudobond parameters for QM/MM studies involving nucleosides, nucleotides, and their analogsRobin Chaudret, Jerry M Parks, Weitao Yang
Journal of Chemical Theory and Computation|July 30, 2013
Noncovalent Interaction Analysis in Fluctuating EnvironmentsPan Wu, Robin Chaudret, Xiangqian Hu, et al.
Physical Chemistry Chemical Physics : PCCP|May 14, 2011
Correlation between electron localization and metal ion mutagenicity in DNA synthesis from QM/MM calculationsRobin Chaudret, Jean-Philip Piquemal, G Andrés Cisneros
Journal of Computational Chemistry|July 28, 2011
Many-body exchange-repulsion in polarizable molecular mechanics. I. Orbital-based approximations and applications to hydrated metal cation complexesRobin Chaudret, Nohad Gresh, Olivier Parisel, et al.
Journal of Chemical Theory and Computation|November 25, 2015
Electron Pair Localization Function (EPLF) for Density Functional Theory and ab Initio Wave Function-Based Methods: A New Tool for Chemical InterpretationAnthony Scemama, Michel Caffarel, Robin Chaudret, et al.
Journal of Chemical Theory and Computation|November 20, 2015
Toward a Deeper Understanding of Enzyme Reactions Using the Coupled ELF/NCI Analysis: Application to DNA Repair EnzymesDong Fang, Robin Chaudret, Jean-Philip Piquemal, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|February 11, 2011
Unraveling low-barrier hydrogen bonds in complex systems with a simple quantum topological criterionRobin Chaudret, G Andrés Cisneros, Olivier Parisel, et al.
The FEBS Journal|January 30, 2013
QM/MM modelling of ketosteroid isomerase reactivity indicates that active site closure is integral to catalysisMarc W van der Kamp, Robin Chaudret, Adrian J Mulholland
Journal of Chemical Theory and Computation|December 1, 2010
Polarizable molecular dynamics simulation of Zn(II) in water using the AMOEBA force fieldJohnny C Wu, Jean-Philip Piquemal, Robin Chaudret, et al.
The Journal of Physical Chemistry. B|March 16, 2012
Catalytic mechanism of 4-oxalocrotonate tautomerase: significances of protein-protein interactions on proton transfer pathwaysPan Wu, G Andrés Cisneros, Hao Hu, et al.
Pageof 2