Esam A. Orabi

发表

Ammonium transporters achieve charge transfer by fragmenting their substrate.

Guillaume Lamoureux, Sefer Baday, Shihao Wang, 2012, Journal of the American Chemical Society.

Molecular modelling of cation–π interactions

G. Lamoureux, Esam A. Orabi, 2012 .

Spectroscopic studies on 3- and 5-formylsalicylic acids and their complexes with Fe(III).

Esam A. Orabi, 2010, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Theoretical study of inner and outer mononuclear complexes of Co(II), Ni(II), and Cu(II) with a compartmental hexadentate Schiff base derived from 3-formylsalicylic acid

Esam A. Orabi, 2010 .

Tautomerism and antioxidant activity of some 4-acylpyrazolone-based Schiff bases: a theoretical study

Esam A. Orabi, 2018, RSC advances.

Computational investigation of the structure and antioxidant activity of some pyrazole and pyrazolone derivatives

Esam A. Orabi, M. Orabi, M. Mahross, 2017, Journal of Saudi Chemical Society.

Synthesis of Novel Biocompatible Thienopyrimidine Chromophores with Aggregation-Induced Emission Sensitive to Molecular Aggregation

Rebecca L. Davis, R. Hassanien, O. Tsutsumi, 2020, ACS omega.

Biologically-Active Heterocyclic Molecules with Aggregation-Induced Blue-Shifted Emission and Efficient Luminescence both in Solution and Solid States

R. Hassanien, O. Tsutsumi, Esam A. Orabi, 2020 .

Aggregation-induced emission with white, green, or blue luminescence from biologically-active indole derivatives

Rebecca L. Davis, R. Hassanien, O. Tsutsumi, 2020 .

Conducting copolymers nanocomposite coatings with aggregation-controlled luminescence and efficient corrosion inhibition properties

M. Mohamed, O. Tsutsumi, M. M. Sayed, 2019, Progress in Organic Coatings.

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

G. Lamoureux, Esam A. Orabi, 2018, The journal of physical chemistry. B.

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

G. Lamoureux, Esam A. Orabi, 2012, Journal of chemical theory and computation.

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

Guillaume Lamoureux, Esam A Orabi, G. Lamoureux, 2013, Journal of chemical theory and computation.

Twisted Intramolecular Charge Transfer (TICT) Controlled by Dimerization: An Overlooked Piece of the TICT Puzzle

B. Zietz, M. Karlsson, A. El‐Zohry, 2021, The journal of physical chemistry. A.

Antiviral and antioxidant activities of flavonoids of Ficus virens: Experimental and theoretical investigations

Esam A. Orabi, M. Orabi, 2016 .

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

H. Sakagami, T. Hatano, S. Taniguchi, 2019, Journal of natural products.

Sulfur-Aromatic Interactions: Modeling Cysteine and Methionine Binding to Tyrosinate and Histidinium Ions to Assess Their Influence on Protein Electron Transfer

A. English, Esam A. Orabi, 2016 .

Corrections in the CHARMM36 Parametrization of Chloride Interactions with Proteins, Lipids, and Alkali Cations, and Extension to Other Halide Anions.

J. Faraldo-Gómez, Nathan A Bernhardt, Esam A. Orabi, 2021, Journal of chemical theory and computation.

A New Molecular-Mechanics Model for Simulations of Hydrogen Fluoride in Chemistry and Biology.

J. Faraldo-Gómez, Esam A. Orabi, 2020, Journal of chemical theory and computation.

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

A. English, Esam A. Orabi, 2019, Physical chemistry chemical physics : PCCP.

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

A. English, Esam A. Orabi, 2018, Physical chemistry chemical physics : PCCP.

Dimerization mechanism of an inverted-topology ion channel in membranes

J. Faraldo-Gómez, R. Stockbridge, Esam A. Orabi, 2023, bioRxiv.

Molecular Modeling of Ions in Biological Systems

Esam A. Orabi, 2015 .

Polarizable Interaction Model for Liquid, Supercritical, and Aqueous Ammonia.

G. Lamoureux, Esam A. Orabi, 2013, Journal of chemical theory and computation.

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

G. Lamoureux, Esam A. Orabi, 2014, Journal of chemical theory and computation.

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

G. Peslherbe, Esam A. Orabi, 2019, Physical chemistry chemical physics : PCCP.

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

A. English, Esam A. Orabi, 2018, Journal of chemical theory and computation.

Molecular dynamics investigation of the structural flexibility of H2O2 and H2S2 in response to medium polarity

Esam A. Orabi, 2021 .

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

Guillaume Lamoureux, Rebecca L. Davis, Esam A Orabi, 2020, J. Comput. Chem..

Inter/intramolecular hydrogen bonding mediate miscible blend formation between near-perfect alternating Poly(styrene-alt- hydroxyphenylmaleimide) copolymers and Poly(vinyl pyrrolidone)

S. Kuo, M. Mohamed, Esam A. Orabi, 2021 .

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

S. Bernèche, S. Baday, G. Lamoureux, 2015, Structure.

Ammonium transporters achieve charge transfer by fragmenting their substrate.

S. Bernèche, S. Baday, G. Lamoureux, 2012, Journal of the American Chemical Society.