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DFT -- Essays
Molecular docking -- Essays
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Theses
8
0
Firm Characteristics and the Implementation of the International Accounting Standard 34 (Interim Financial Reporting): Evidence from GCC Countries
Sayyah, Manal
2022
Firm Characteristics and the Implementation of the International Accounting Standard 34 (Interim Financial Reporting): Evidence from GCC Countries
Article
2
0
Design, Synthesis, Kinetic Analysis and Pharmacophore-Directed Discovery of 3-Ethylaniline Hybrid Imino-Thiazolidinone as Potential Inhibitor of Carbonic Anhydrase II An Emerging Biological Target for Treatment of Cancer
Atteeque, Ahmed
University of Bahrain
2022
Design, Synthesis, Kinetic Analysis and Pharmacophore-Directed Discovery of 3-Ethylaniline Hybrid Imino-Thiazolidinone as Potential Inhibitor of Carbonic Anhydrase II An Emerging Biological Target for Treatment of Cancer
Article
1
0
Acetophenone-Based 3,4-Dihydropyrimidine-2(1H)-Thione as Potential Inhibitor of Tyrosinase and Ribonucleotide Reductase : Facile Synthesis, Crystal Structure, In-Vitro and In-Silico Investigations
Saeed, Aamer
University of Bahrain
2022
Acetophenone-Based 3,4-Dihydropyrimidine-2(1H)-Thione as Potential Inhibitor of Tyrosinase and Ribonucleotide Reductase : Facile Synthesis, Crystal Structure, In-Vitro and In-Silico Investigations
Article
2
0
DFT study of therapeutic potential of graphitic carbon nitride as a carrier for controlled release of melphalan : an anticancer drug
Perveen, Mehvish
Springer-Verlag GmbH
2022
DFT study of therapeutic potential of graphitic carbon nitride as a carrier for controlled release of melphalan : an anticancer drug
Article
2
0
Synthesis, antimalarial, antileishmanial evaluation, and molecular docking study of some 3-aryl-2-styryl substituted-4(3H)-quinazolinone derivatives
Seifu, Girma Worku
University of Bahrain
2022
Synthesis, antimalarial, antileishmanial evaluation, and molecular docking study of some 3-aryl-2-styryl substituted-4(3H)-quinazolinone derivatives
Article
1
0
Exploring 2-Tetradecanoylimino-3-aryl-4-methyl-1,3-thiazolines Derivatives as Alkaline Phosphatase Inhibitors : Biochemical Evaluation and Computational Analysis
Ahmed, Aftab
MDPI
2022
Exploring 2-Tetradecanoylimino-3-aryl-4-methyl-1,3-thiazolines Derivatives as Alkaline Phosphatase Inhibitors : Biochemical Evaluation and Computational Analysis
Article
2
0
Sensing of SO3, SO2, H2S, NO2 and N2O toxic gases through aza-macrocycle via DFT calculations
Siddique , S.A
University of Bahrain
2022
Sensing of SO3, SO2, H2S, NO2 and N2O toxic gases through aza-macrocycle via DFT calculations
Article
5
0
Design, synthesis, biochemical and in silico characterization of novel naphthalene-thiourea conjugates as potential and selective inhibitors of alkaline phosphatase
Saeed, A
University of Bahrain
2023
Design, synthesis, biochemical and in silico characterization of novel naphthalene-thiourea conjugates as potential and selective inhibitors of alkaline phosphatase
Article
1
0
Chemical sensing ability of aminated graphdiyne (GDY-NH2) toward highly toxic organic volatile pollutants
Allangawi, Abdulrahman
Elsevier B.V.
Chemical sensing ability of aminated graphdiyne (GDY-NH2) toward highly toxic organic volatile pollutants
Article
3
0
TD‑DFT, DFT, docking, MD simulations, and concentration‑dependent SERS investigations of a bioactive trifuoromethyl derivative having human acetylcholinesterase and butyrylcholinesterase in silver colloids
Al-Otaibi, J.S
University of Bahrain
2023
TD‑DFT, DFT, docking, MD simulations, and concentration‑dependent SERS investigations of a bioactive trifuoromethyl derivative having human acetylcholinesterase and butyrylcholinesterase in silver colloids
Article
2
0
Sensing behaviour of monocyclic C18 and B9N9 analogues toward chemical warfare agents (CWAs); quantum chemical approach
Sajid , H
University of Bahrain
2022
Sensing behaviour of monocyclic C18 and B9N9 analogues toward chemical warfare agents (CWAs); quantum chemical approach
Article
2
0
Effects of hydrogen/halogen –edge termination on structural, electronic, and optical properties of planar silicene nanoribbons SiNRs
Djabri , I
University of Bahrain
2022
Effects of hydrogen/halogen –edge termination on structural, electronic, and optical properties of planar silicene nanoribbons SiNRs
Article
1
0
Synthesis, Characterization, Biological, and Molecular Docking Studies of (Z)-N-Substituted-4-(Pyridin-2-yl)-6-(1H-Pyrrolo[2,3-b]Pyridin-4-yl)Pyrimidin-2-Amine
Arshada, M.
Springer Nature
2022
Synthesis, Characterization, Biological, and Molecular Docking Studies of (Z)-N-Substituted-4-(Pyridin-2-yl)-6-(1H-Pyrrolo[2,3-b]Pyridin-4-yl)Pyrimidin-2-Amine
Article
2
0
Unveiling the Potential of B3O3 Nanoflake as Effective Transporter for the Antiviral Drug Favipiravir : Density Functional Theory Analysis
Zahid, M.N
University of Bahrain
2023
Unveiling the Potential of B3O3 Nanoflake as Effective Transporter for the Antiviral Drug Favipiravir : Density Functional Theory Analysis
Article
3
0
Antimalarial and Antileishmanial Flavonoids from Calendula officinalis Flowers
Al-Huqail, A.A
University of Bahrain
2023
Antimalarial and Antileishmanial Flavonoids from Calendula officinalis Flowers
Article
3
0
Role of Delocalization, Asymmetric Distribution of π-Electrons and Elongated Conjugation System for Enhancement of NLO Response of Open Form of Spiropyran-Based Thermochromes
Kosar, N
University of Bahrain
2023
Role of Delocalization, Asymmetric Distribution of π-Electrons and Elongated Conjugation System for Enhancement of NLO Response of Open Form of Spiropyran-Based Thermochromes
Article
4
0
Engineering push–pull structural versatility in highly functional carbazole-based hole transporting materials design for efficient perovskites solar devices
Akram, Waqas
University of Bahrain
2023
Engineering push–pull structural versatility in highly functional carbazole-based hole transporting materials design for efficient perovskites solar devices
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Djabri , I
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Djabri , I
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(1)
Siddique , S.A
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Desoky Abdelmohsen M
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University of Bahrain, College of Business…
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