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Krystel El Hage

Showing results (1-10 of 31) with videos related to

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Journal of Chemical Information and Modeling|October 30, 2019
Strong Enrichment of Aromatic and Sulfur-Containing Residues in Ligand-Protein Binding SitesKrystel El Hage, Vincent Zoete
Journal of Chemical Information and Modeling|July 21, 2016
A Toolkit to Fit Nonbonded Parameters from and for Condensed Phase SimulationsFlorent Hédin, Krystel El Hage, Markus Meuwly
The Journal of Physical Chemistry. B|February 7, 2019
Effect of Single-Point Mutations on Nitric Oxide Rebinding and the Thermodynamic Stability of MyoglobinPolydefkis Diamantis, Krystel El Hage, Markus Meuwly
Physical Chemistry Chemical Physics : PCCP|June 29, 2018
From in silica to in silico: retention thermodynamics at solid-liquid interfacesKrystel El Hage, Raymond J Bemish, Markus Meuwly
Journal of Chemical Theory and Computation|May 10, 2016
Impact of Quadrupolar Electrostatics on Atoms Adjacent to the Sigma-Hole in Condensed-Phase SimulationsKrystel El Hage, Tristan Bereau, Sofie Jakobsen, et al.
The Journal of Physical Chemistry Letters|September 6, 2017
Molecular Mechanisms Underlying Solute Retention at Heterogeneous InterfacesKrystel El Hage, Prashant Kumar Gupta, Raymond Bemish, et al.
The Journal of Physical Chemistry. B|June 20, 2018
The Role of Water in the Stability of Wild-type and Mutant Insulin DimersShampa Raghunathan, Krystel El Hage, Jasmine L Desmond, et al.
Elife|June 21, 2019
Response to comment on 'Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box size'Krystel El Hage, Florent Hédin, Prashant K Gupta, et al.
Elife|July 13, 2018
Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box sizeKrystel El Hage, Florent Hédin, Prashant K Gupta, et al.
The Journal of Physical Chemistry. A|September 18, 2014
Substituent-modulated affinities of halobenzene derivatives to the HIV-1 integrase recognition site. Analyses of the interaction energies by parallel quantum chemical and polarizable molecular mechanicsKrystel El Hage, Jean-Philip Piquemal, Zeina Hobaika, et al.
Pageof 4

Showing results (1-10 of 31) with videos related to

Sort By:
Pageof 4
Journal of Chemical Information and Modeling|October 30, 2019
Strong Enrichment of Aromatic and Sulfur-Containing Residues in Ligand-Protein Binding SitesKrystel El Hage, Vincent Zoete
Journal of Chemical Information and Modeling|July 21, 2016
A Toolkit to Fit Nonbonded Parameters from and for Condensed Phase SimulationsFlorent Hédin, Krystel El Hage, Markus Meuwly
The Journal of Physical Chemistry. B|February 7, 2019
Effect of Single-Point Mutations on Nitric Oxide Rebinding and the Thermodynamic Stability of MyoglobinPolydefkis Diamantis, Krystel El Hage, Markus Meuwly
Physical Chemistry Chemical Physics : PCCP|June 29, 2018
From in silica to in silico: retention thermodynamics at solid-liquid interfacesKrystel El Hage, Raymond J Bemish, Markus Meuwly
Journal of Chemical Theory and Computation|May 10, 2016
Impact of Quadrupolar Electrostatics on Atoms Adjacent to the Sigma-Hole in Condensed-Phase SimulationsKrystel El Hage, Tristan Bereau, Sofie Jakobsen, et al.
The Journal of Physical Chemistry Letters|September 6, 2017
Molecular Mechanisms Underlying Solute Retention at Heterogeneous InterfacesKrystel El Hage, Prashant Kumar Gupta, Raymond Bemish, et al.
The Journal of Physical Chemistry. B|June 20, 2018
The Role of Water in the Stability of Wild-type and Mutant Insulin DimersShampa Raghunathan, Krystel El Hage, Jasmine L Desmond, et al.
Elife|June 21, 2019
Response to comment on 'Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box size'Krystel El Hage, Florent Hédin, Prashant K Gupta, et al.
Elife|July 13, 2018
Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box sizeKrystel El Hage, Florent Hédin, Prashant K Gupta, et al.
The Journal of Physical Chemistry. A|September 18, 2014
Substituent-modulated affinities of halobenzene derivatives to the HIV-1 integrase recognition site. Analyses of the interaction energies by parallel quantum chemical and polarizable molecular mechanicsKrystel El Hage, Jean-Philip Piquemal, Zeina Hobaika, et al.
Pageof 4