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Vol 13, No 2 (2022): June 2022 |
Molecular dynamics of fibric acids |
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Chad Miller, Steven Schildcrout, Howard Mettee, Ganesaratnam Balendiran |
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Vol 12, No 2 (2021): June 2021 |
Molecular docking analysis on the interaction between bovine serum albumin and three commercial fluoroquinolones: Ciprofloxacin, enrofloxacin and pefloxacin |
Abstract
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Otavio Augusto Chaves, Leonardo Vazquez |
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Vol 6, No 1 (2015): March 2015 |
Exploration of new 3α-pregnenolone ester analogues via Mitsunobu reaction, their anti-HIV activity and molecular modeling study |
Abstract
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Kuthair Mohammed Mahdi, Nabeel Abed Abdul-Reda, Najim Aboud Al-Masoudi |
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Vol 10, No 2 (2019): June 2019 |
Correlation between single crystal data and molecular mechanics calculation of 3-(2-hydroxy-phenylimino)-1,3-diphenyl-propan-1-one |
Abstract
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Adel Sayed Orabi, Sahar Said El-Sakka |
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Vol 6, No 2 (2015): June 2015 |
Synthesis, antimicrobial activity and molecular modeling study of some new pyrimidine derivatives |
Abstract
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Wasfi Abood Al-Masoudi, Abeer Laily Mohmmed, Wamedh Hashim Abass, Najim Aboud Al-Masoudi |
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Vol 3, No 3 (2012): September 2012 |
Synthesis, characterization and molecular docking studies of novel S-substituted phenacyl-1,3,4-thiadiazole-thiol derivatives as antimicrobial agents |
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Shashidhar Kerur, Kallanagouda Alagawadi, Hailiang Zhu, Fakkirappa Manvi |
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Vol 13, No 3 (2022): September 2022 |
QSAR and docking studies of pyrazole analogs as antiproliferative against human colorectal adenocarcinoma cell line HT-29 |
Abstract
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Hiba Hashim Mahgoub Mohamed, Amna Bint Wahab Elrashid Mohammed Hussien, Ahmed Elsadig Mohammed Saeed |
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Vol 6, No 4 (2015): December 2015 |
Synthesis, antimicrobial activity, computational and modeling studies of some new organotellurium compounds containing azo moities |
Abstract
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Wasfi Aboud Al-Masoudi, Rafid Hmedan Al-Asadi, Rasha Munther Othman, Najim Aboud Al‐Masoudi |
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Vol 5, No 4 (2014): December 2014 |
Synthesis, anti-HIV activity and molecular modeling study of some new pyrimidine analogues |
Abstract
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Yossra Abood Marich, Niran Jassim Al-Salihi, Najim Aboud Al-Masoudi |
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Vol 7, No 1 (2016): March 2016 |
Synthesis, antimicrobial activity and modelling studies of some new metal complexes of Schiff base derived from sulphonamide drug in vitro |
Abstract
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Wasfi Aboud Al-Masoudi, Rana Adnan Faaz, Rafid Hmedan Al-Asadi, Hazim Saad Jabbar |
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Vol 5, No 2 (2014): June 2014 |
Characterization and biological activity studies on some transition metal complexes of thiosemicarbazide derived from 2-picolinic acid hydrazide |
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Eshraga Eltayeb Mohamed, Abeer Taha AbedelKarim, Yahia Hassan Elmalik, Amna Elamin Mohamed, Mutlaq Sheeded Aljahdali |
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Vol 3, No 1 (2012): March 2012 |
Synthesis, structural elucidation and antimicrobial effectiveness of coordination entities of cobalt (II) and nickel (II) derived from 9,17-diaza-2,6,11,15-tetrathia-1,7,10,16-(1,2)-tetrabenzenacyclooctadecaphan-8,17-diene |
Abstract
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Rajiv Kumar, Rajni Johar, Anil Krishan Aggarwal |
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Vol 12, No 3 (2021): September 2021 |
Kinetic modeling of the biodiesel production process using neem seed oil: An alternative to petroleum-diesel |
Abstract
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Toyese Oyegoke, Kazeem Ajadi Ibraheem |
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Vol 4, No 4 (2013): December 2013 |
Nickel(II) complexes of novel thiosemicarbazone compounds: Synthesis, characterization, molecular modeling and in vitro antimicrobial activity |
Abstract
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Mutlaq Shedeed Aljahdali |
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Vol 4, No 4 (2013): December 2013 |
Mixed bivalent transition metal complexes of 1,10-phenanthroline and 2-aminomethylthiophenyl-4-bromosalicylaldehyde Schiff base: Spectroscopic, molecular modeling and biological activities |
Abstract
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Mutlaq Shedeed Aljahdali, Ahmed Abdou El-Sherif, Rifaat Hasan Hilal, Abeer Taha Abdel-Karim |
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Vol 5, No 2 (2014): June 2014 |
Synthesis of some transition metal complexes of novel 1-methylpyrazole-3-aldehyde-4-(2-pyridyl) thiosemicarbazone: Spectroscopic and in vitro biological activity studies |
Abstract
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Mutlaq Shedeed Aljahdali, Yahia Hassan Elmalik, Gaber Mohamed Abu El-Reash |
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Vol 7, No 3 (2016): September 2016 |
Chelation activity of N'1,N'6-bis((E)-3,4-dihydroxybenzylidene)adipohydrazide towards some transition metal ions |
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Ahmed Abdel-Hameed El-Asmy, Bakir Jeragh, Mayada Samir Ali |
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Vol 2, No 4 (2011): December 2011 |
Accurate improvement of a mathematical correlation for estimating diffusion coefficient in gaseous hydrocarbons |
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Mohammad Mohsen Sarafraz, Mohammad Jamshidnejad, Ahmad Arabi Shamsabadi, Saeed Laki, Hadi Ajami |
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Vol 11, No 3 (2020): September 2020 |
In silico evaluation and docking studies of pyrazole analogs as potential autophagy modulators against pancreatic cancer cell line MIA PaCa-2 |
Abstract
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Hiba Hashim Mahgoub Mohamed, Amna Bint Wahab Elrashid Mohammed Hussien, Ahmed Elsadig Mohammed Saeed |
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Vol 11, No 4 (2020): December 2020 |
Mechanistic insight into propane dehydrogenation into propylene over chromium (III) oxide by cluster approach and Density Functional Theory calculations |
Abstract
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Toyese Oyegoke, Fadimatu Nyako Dabai, Adamu Uzairu, Baba El-Yakubu Jibril |
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Vol 7, No 1 (2016): March 2016 |
Synthesis and characterization of tri- and tetra-metallic complexes of N'1,N'4-bis((E)-3,4-dihydroxybenzylidene)-succinohydrazide |
Abstract
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Ahmed Abd-Elhamied El-Asmy, Bakir Jeragh, Mayada Samir Ali |
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Vol 2, No 2 (2011): June 2011 |
Geometrical, electronic structure, nonlinear optical and spectroscopic investigations of 4-(phenylthio)phthalonitrile dye sensitizer for solar cells using quantum chemical calculations |
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Ponnusamy Munusamy Anbarasan, Palanivel Senthil Kumar, Kolandan Vasudevan, Raji Govindan, Annamalai Prakasam, Munusamy Geetha |
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Vol 3, No 3 (2012): September 2012 |
Theoretical free energies of electron transfer, electrochemical properties, electron transfer kinetic and quantitative structural relationships studies of alkynyldihydrofullerene in [X-UT-Y][R-C60–M+] supramolecular complexes |
Abstract
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Avat Arman Taherpour, Masomeh Tayebi-Suraki, Nosratollah Mahdizadeh |
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Vol 13, No 4 (2022): December 2022 |
A density functional study of the coronene-pyrrole system in relation to its possible application as NO2 and NH3 sensors |
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Cinthya Susana Olmedo-Martinez, Jesus Moises Hernandez-Duarte, Roberto Mejia-Olvera, Sandy Maria Pacheco-Ortin, Esther Agacino-Valdes |
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