[PDF][PDF] Theoretical prediction of lipophilicity for some drugs compounds
AA Ibrahim, AY Abd-Alrazzak, EA AbdalRazaq… - Oriental J. of …, 2020 - academia.edu
The theoretical calculations were evaluated for thirty four drug compounds. Many
parameters have been calculated theoretically and enter as a model to predicting the best …
parameters have been calculated theoretically and enter as a model to predicting the best …
[PDF][PDF] Theoretical prediction of pKa for amino acids and voltammetric behaviour of the interaction of paracetamol with alanine
KM Shahadha, AA Ibrahim - Inter. J. of Adv. Sci. and Tech, 2020 - academia.edu
The interaction of paracetamol medicine with alanine has been investigated using
electrochemical and quantum calculations. Square wave voltammetry (SWV) was applied to …
electrochemical and quantum calculations. Square wave voltammetry (SWV) was applied to …
Comparison study of HOMO-LUMO energy gaps for tautomerism of triazoles in different solvents using theoretical calculations
The phenomena of the tautomerism forms of the substituted triazoles compounds which are
named [1-A](5-phenyl-1H-1, 2, 4-triazol-3-amine),[1-B](3-phenyl-1H-1, 2, 4-triazol-5 …
named [1-A](5-phenyl-1H-1, 2, 4-triazol-3-amine),[1-B](3-phenyl-1H-1, 2, 4-triazol-5 …
Dapsone With Amino Acids And Docking With Multiple Proteins As a Covid-19 Treatment: A Theoretical Study
A Ibrahim - Turkish Computational and Theoretical Chemistry - dergipark.org.tr
Every day, a large number of individuals die as a result of the devastating disease COVID-
19. Based on molecular docking simulations, the dapsone molecule has been presented as …
19. Based on molecular docking simulations, the dapsone molecule has been presented as …
Study The Effect of Factors on the Rate Constant (K) for Some Substituted Benzyl-amine Using Theoretical Calculations
AA Ibrahim, HA Younis, EA Sulliman… - IMDC-SDSP 2020 …, 2020 - books.google.com
The computational calculations methods are applied for the determination of some
benzylamine substituents. The logK at temperature 303K are used as dependent variables …
benzylamine substituents. The logK at temperature 303K are used as dependent variables …
Theoretical Calculations of pKa Values for Substituted Carboxylic Acid
AA Ibrahim, MK Hasan - NTU Journal of Pure Sciences, 2021 - ntu.libraryhost.com
Six different methods of determination have been used for studying ten derivatives of
carboxylic compounds. Semi-empirical (AM1 and PM3), Hartree Fock (HF/STO-3G and HF/3 …
carboxylic compounds. Semi-empirical (AM1 and PM3), Hartree Fock (HF/STO-3G and HF/3 …