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List of works by Esam A. Orabi

A Simple Additive Potential Model for Simulating Hydrogen Peroxide in Chemical and Biological Systems.

scientific article

Ammonium transporters achieve charge transfer by fragmenting their substrate.

scientific article published on 12 June 2012

Cation-π Interactions Between Quaternary Ammonium Ions and Amino Acid Aromatic Groups in Aqueous Solution

scientific article published on 4 February 2018

Cation-π and π-π Interactions in Aqueous Solution Studied Using Polarizable Potential Models

scientific article published on 01 December 2011

Computational insight into hydrogen persulfide and a new additive model for chemical and biological simulations

scientific article published on 01 July 2019

Drude polarizable force field for cation-π interactions of alkali and quaternary ammonium ions with aromatic amino acid side chains

scientific article published on 25 October 2019

Expanding the range of binding energies and oxidizability of biologically relevant S-aromatic interactions: imidazolium and phenolate binding to sulfoxide and sulfone

scientific article published on 01 July 2019

Mechanism of NH4(+) Recruitment and NH3 Transport in Rh Proteins.

scientific article

Modeling Protein S-Aromatic Motifs Reveals Their Structural and Redox Flexibility

scientific article published on 28 March 2018

Modeling Shows that Rotation about the Peroxide O-O Bond Assists Protein and Lipid Functional Groups in Discriminating between H<sub>2</sub>O<sub>2</sub> and H<sub>2</sub>O

scientific article published on 23 December 2020

Molecular Dynamics Investigation of Alkali Metal Ions in Liquid and Aqueous Ammonia.

scientific article published on 30 April 2013

Polarizable Interaction Model for Liquid, Supercritical, and Aqueous Ammonia

scientific article published on 22 March 2013

Predicting structural and energetic changes in Met-aromatic motifs on methionine oxidation to the sulfoxide and sulfone

scientific article published on 01 September 2018

Simulation of Liquid and Supercritical Hydrogen Sulfide and of Alkali Ions in the Pure and Aqueous Liquid

scientific article published on August 2014

Structures, NMR Spectroscopic Features, and Cytotoxic Properties of Oligomeric Hellinoyl (m-GO-m-GOG)-Type Ellagitannins from the Galls of Tamarix aphylla

scientific article published on 18 September 2019

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