BookR: School of Health Core Facilities Booking
PubMed Publications| Keyword search (4,164 papers available) |  |
"Esam A Orabi" Authored Publications:
| Title | Authors | PubMed ID | |
|---|---|---|---|
| 1 | Polarizable Interaction Model for Liquid, Supercritical, and Aqueous Ammonia | Esam A Orabi | 26583551 CERMM |
| 2 | Molecular Dynamics Investigation of Alkali Metal Ions in Liquid and Aqueous Ammonia | Esam A Orabi | 26583725 CERMM |
| 3 | Simulation of Liquid and Supercritical Hydrogen Sulfide and of Alkali Ions in the Pure and Aqueous Liquid | Esam A Orabi | 26588292 CERMM |
| 4 | Cation-π and π-π Interactions in Aqueous Solution Studied Using Polarizable Potential Models | Esam A Orabi | 26592880 CERMM |
| 5 | Cation-π Interactions between Quaternary Ammonium Ions and Amino Acid Aromatic Groups in Aqueous Solution | Esam A Orabi | 29397727 CERMM |
| 6 | Modeling Protein S-Aromatic Motifs Reveals Their Structural and Redox Flexibility | Esam A Orabi | 29533644 CERMM |
| 7 | A Simple Additive Potential Model for Simulating Hydrogen Peroxide in Chemical and Biological Systems | Esam A Orabi | 29630362 CERMM |
| Title: | Cation-π Interactions between Quaternary Ammonium Ions and Amino Acid Aromatic Groups in Aqueous Solution | ||||
| Authors: | Esam A Orabi | ||||
| Link: | https://pubmed.ncbi.nlm.nih.gov/29397727/ | ||||
| DOI: | 10.1021/acs.jpcb.7b11983 | ||||
| Publication: | The journal of physical chemistry. B | ||||
| Keywords: | |||||
| PMID: | 29397727 | Category: | J Phys Chem B | Date Added: | 2019-05-31 |
| Dept Affiliation: |
CERMM
1 Department of Chemistry and Biochemistry and Centre for Research in Molecular Modeling (CERMM), Concordia University , 7141 Sherbrooke Street West, Montréal, Québec H4B 1R6, Canada. |
||||
Description: |
Cation-p interactions play important roles in the stabilization of protein structures and protein-ligand complexes. They contribute to the binding of quaternary ammonium ligands (mainly RNH(3)^(+) and RN(CH(3))(3)^(+)) to various protein receptors and are likely involved in the blockage of potassium channels by tetramethylammonium (TMA^(+)) and tetraethylammonium (TEA^(+)). Polarizable molecular models are calibrated for NH(4)^(+), TMA^(+), and TEA^(+) interacting with benzene, toluene,... |
