Ibrahim MAA - Search Results

1

σ-Hole, lone-pair-hole, and π-hole site-based interactions in aerogen-comprising complexes: a comparative study.

Ibrahim MAA, Abuelliel HAA, Moussa NAM, Rady ASM, Sayed SRM, El-Tayeb MA, Ahmed MN, Abd El-Rahman MK, Shoeib T. Ibrahim MAA, et al. RSC Adv. 2024 Jul 15;14(31):22408-22417. doi: 10.1039/d4ra03614j. eCollection 2024 Jul 12. RSC Adv. 2024. PMID: 39010916 Free PMC article.

2

Quantum-mechanical investigation of tetrel bond characteristics based on the point-of-charge (PoC) approach.

Ibrahim MAA, Moussa NAM, Safy MEA. Ibrahim MAA, et al. J Mol Model. 2018 Jul 27;24(8):219. doi: 10.1007/s00894-018-3752-2. J Mol Model. 2018. PMID: 30054722

3

Unconventional Type III Halogen···Halogen Interactions: A Quantum Mechanical Elucidation of σ-Hole···σ-Hole and Di-σ-Hole Interactions.

Ibrahim MAA, Moussa NAM. Ibrahim MAA, et al. ACS Omega. 2020 Aug 19;5(34):21824-21835. doi: 10.1021/acsomega.0c02887. eCollection 2020 Sep 1. ACS Omega. 2020. PMID: 32905309 Free PMC article.

4

σ-Hole and Lone-Pair Hole Interactions in Chalcogen-Containing Complexes: A Comparative Study.

Ibrahim MAA, Telb EMZ. Ibrahim MAA, et al. ACS Omega. 2020 Aug 19;5(34):21631-21640. doi: 10.1021/acsomega.0c02362. eCollection 2020 Sep 1. ACS Omega. 2020. PMID: 32905338 Free PMC article.

5

Cospatial σ-Hole and Lone Pair Interactions of Square-Pyramidal Pentavalent Halogen Compounds with π-Systems: A Quantum Mechanical Study.

Ibrahim MAA, Ahmed OAM, El-Taher S, Al-Fahemi JH, Moussa NAM, Moustafa H. Ibrahim MAA, et al. ACS Omega. 2021 Jan 25;6(4):3319-3329. doi: 10.1021/acsomega.0c05795. eCollection 2021 Feb 2. ACS Omega. 2021. PMID: 33553949 Free PMC article.

6

On the Potentiality of X-T-X₃ Compounds (T = C, Si, and Ge, and X = F, Cl, and Br) as Tetrel- and Halogen-Bond Donors.

Ibrahim MAA, Moussa NAM, Soliman MES, Moustafa MF, Al-Fahemi JH, El-Mageed HRA. Ibrahim MAA, et al. ACS Omega. 2021 Jul 16;6(29):19330-19341. doi: 10.1021/acsomega.1c03183. eCollection 2021 Jul 27. ACS Omega. 2021. PMID: 34337270 Free PMC article.

7

Effect of External Electric Field on Tetrel Bonding Interactions in (FTF₃···FH) Complexes (T = C, Si, Ge, and Sn).

Ibrahim MAA, Kamel AAK, Soliman MES, Moustafa MF, El-Mageed HRA, Taha F, Mohamed LA, Moussa NAM. Ibrahim MAA, et al. ACS Omega. 2021 Sep 22;6(39):25476-25485. doi: 10.1021/acsomega.1c03461. eCollection 2021 Oct 5. ACS Omega. 2021. PMID: 34632205 Free PMC article.

8

R^•-hole interactions of group IV-VII radical-containing molecules: A comparative study.

Ibrahim MAA, Mohamed YAM, Abd Elhafez HSM, Shehata MNI, Soliman MES, Ahmed MN, Abd El-Mageed HR, Moussa NAM. Ibrahim MAA, et al. J Mol Graph Model. 2022 Mar;111:108097. doi: 10.1016/j.jmgm.2021.108097. Epub 2021 Nov 29. J Mol Graph Model. 2022. PMID: 34890896

9

Unusual chalcogen⋯chalcogen interactions in like⋯like and unlike YCY⋯YCY complexes (Y = O, S, and Se).

Ibrahim MAA, Shehata MNI, Soliman MES, Moustafa MF, El-Mageed HRA, Moussa NAM. Ibrahim MAA, et al. Phys Chem Chem Phys. 2022 Feb 2;24(5):3386-3399. doi: 10.1039/d1cp02706a. Phys Chem Chem Phys. 2022. PMID: 35072679

10

Exploring Toxins for Hunting SARS-CoV-2 Main Protease Inhibitors: Molecular Docking, Molecular Dynamics, Pharmacokinetic Properties, and Reactome Study.

Ibrahim MAA, Abdelrahman AHM, Jaragh-Alhadad LA, Atia MAM, Alzahrani OR, Ahmed MN, Moustafa MS, Soliman MES, Shawky AM, Paré PW, Hegazy MF, Sidhom PA. Ibrahim MAA, et al. Pharmaceuticals (Basel). 2022 Jan 27;15(2):153. doi: 10.3390/ph15020153. Pharmaceuticals (Basel). 2022. PMID: 35215266 Free PMC article.

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