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Journal of Molecular Graphics & Modelling
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December 30, 2025
Boron-doped C6N8 monolayer as a promising nanosensor for ultrafast and selective detection of HF and NO: DFT and QTAIM study
Marwah M M Madkhali, Halimah Alahmari, Safaa Alrehili, et al.
Computational Biology and Chemistry
|
September 24, 2025
Non-invasive breast cancer detection: Leveraging the potential of BN-doped C<sub>60</sub> heterofullerene for formaldehyde sensing using DFT theory
Bharath Kumar Chagaleti, Arafat Toghan, Magdi E A Zaki, et al.
Journal of Molecular Graphics & Modelling
|
January 23, 2026
Boron and nitrogen-doped coronene as high-performance sensors for gamma-hydroxybutyrate drug sensing: A DFT/TD-DFT study
Mubarak A Alamri, Mohamed Enneiymy, Yassine Riadi, et al.
RSC Advances
|
May 21, 2026
Synthesis, molecular modelling, and evaluation of new mono- and bis-isoxazolines as antibacterial agents: <i>in vitro</i> and <i>in silico</i> analysis
Ali Altharawi, Bharath Kumar Chagaleti, Mubarak A Alamri, et al.
Global Challenges (Hoboken, NJ)
|
May 4, 2026
Advanced Nuclear Energy Pathways for a Net-Zero World: Fuel Cycles, Reactors, and Policy Readiness
Reda A Haggam, Ravikumar Jayabal, Sekar S, et al.
Journal of Fluorescence
|
September 16, 2025
Exploration of Novel Pyrazole Derivatives: Design, Synthesis, and Integrated Biological Profiling (In Vitro and In Silico) of Their Antioxidant, Antibacterial, and Antimitotic Properties
Muneera S M Al-Saleem, Yousef E Mukhrish, Bharath Kumar Chagaleti, et al.
Journal of Fluorescence
|
February 11, 2026
Exploration of a Novel Thiadiazole Derivative: Design, Synthesis, Biological Evaluation (In Vitro and in Silico), and DFT Studies
Yassine Riadi, R Rajesh, Bharath Kumar Chagaleti, et al.
Computational Biology and Chemistry
|
July 5, 2025
Synthesis, molecular structure, spectroscopic, electronic properties, molecular docking, and molecular dynamics studies on novel 1,2,3-triazole-thiosemicarbazone: A potent breast cancer drug
Younesse Ait Elmachkouri, R Rajesh, Ali Altharawi, et al.
Journal of Fluorescence
|
December 6, 2025
Triazole-Schiff Base Hybrids as Potential Dual Inhibitors of Bcl-2 and EGFR: Synthesis, Characterization, and Computational Insights
Mohamed Enneiymy, Abd Elaziz Rahhou, Younesse Ait Elmachkouri, et al.
Future Medicinal Chemistry
|
June 12, 2026
Novel isoxazole-(thio-) and semicarbazone hybrids as promising antibacterial and anticancer agents: synthesis, characterization, biological evaluation, and <i>in silico</i> validation
Muneera S M Al-Saleem, Jehan Y Al-Humaidi, Abd Elaziz Rahhou, et al.
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Search research articles
Search
Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
Journal of Molecular Graphics & Modelling
|
December 30, 2025
Boron-doped C6N8 monolayer as a promising nanosensor for ultrafast and selective detection of HF and NO: DFT and QTAIM study
Marwah M M Madkhali, Halimah Alahmari, Safaa Alrehili, et al.
Computational Biology and Chemistry
|
September 24, 2025
Non-invasive breast cancer detection: Leveraging the potential of BN-doped C<sub>60</sub> heterofullerene for formaldehyde sensing using DFT theory
Bharath Kumar Chagaleti, Arafat Toghan, Magdi E A Zaki, et al.
Journal of Molecular Graphics & Modelling
|
January 23, 2026
Boron and nitrogen-doped coronene as high-performance sensors for gamma-hydroxybutyrate drug sensing: A DFT/TD-DFT study
Mubarak A Alamri, Mohamed Enneiymy, Yassine Riadi, et al.
RSC Advances
|
May 21, 2026
Synthesis, molecular modelling, and evaluation of new mono- and bis-isoxazolines as antibacterial agents: <i>in vitro</i> and <i>in silico</i> analysis
Ali Altharawi, Bharath Kumar Chagaleti, Mubarak A Alamri, et al.
Global Challenges (Hoboken, NJ)
|
May 4, 2026
Advanced Nuclear Energy Pathways for a Net-Zero World: Fuel Cycles, Reactors, and Policy Readiness
Reda A Haggam, Ravikumar Jayabal, Sekar S, et al.
Journal of Fluorescence
|
September 16, 2025
Exploration of Novel Pyrazole Derivatives: Design, Synthesis, and Integrated Biological Profiling (In Vitro and In Silico) of Their Antioxidant, Antibacterial, and Antimitotic Properties
Muneera S M Al-Saleem, Yousef E Mukhrish, Bharath Kumar Chagaleti, et al.
Journal of Fluorescence
|
February 11, 2026
Exploration of a Novel Thiadiazole Derivative: Design, Synthesis, Biological Evaluation (In Vitro and in Silico), and DFT Studies
Yassine Riadi, R Rajesh, Bharath Kumar Chagaleti, et al.
Computational Biology and Chemistry
|
July 5, 2025
Synthesis, molecular structure, spectroscopic, electronic properties, molecular docking, and molecular dynamics studies on novel 1,2,3-triazole-thiosemicarbazone: A potent breast cancer drug
Younesse Ait Elmachkouri, R Rajesh, Ali Altharawi, et al.
Journal of Fluorescence
|
December 6, 2025
Triazole-Schiff Base Hybrids as Potential Dual Inhibitors of Bcl-2 and EGFR: Synthesis, Characterization, and Computational Insights
Mohamed Enneiymy, Abd Elaziz Rahhou, Younesse Ait Elmachkouri, et al.
Future Medicinal Chemistry
|
June 12, 2026
Novel isoxazole-(thio-) and semicarbazone hybrids as promising antibacterial and anticancer agents: synthesis, characterization, biological evaluation, and <i>in silico</i> validation
Muneera S M Al-Saleem, Jehan Y Al-Humaidi, Abd Elaziz Rahhou, et al.
Page
of 1