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In silico Prediction, Characterization, Molecular Docking, and Dynamic Studies on Fungal SDRs as Novel Targets for Searching Potential Fungicides Against Fusarium Wilt in Tomato
In silico Prediction, Characterization, Molecular Docking, and Dynamic Studies on Fungal SDRs as Novel Targets for Searching Potential Fungicides Against Fusarium Wilt in Tomato
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In silico Prediction, Characterization, Molecular Docking, and Dynamic Studies on Fungal SDRs as Novel Targets for Searching Potential Fungicides Against Fusarium Wilt in Tomato

Aamir, Mohd ; Singh, Vinay Kumar ; Dubey, Manish Kumar ; Meena, Mukesh ; Kashyap, Sarvesh Pratap ; Katari, Sudheer Kumar ; Upadhyay, Ram Sanmukh ; Umamaheswari, Amineni ; Singh, Surendra

Frontiers in pharmacology, 2018-10, Vol.9, p.1038-1038 [Periódico revisado por pares]

Switzerland: Frontiers Media S.A

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2
Prediction of dual NF-κB/IκB inhibitors using an integrative in-silico approaches
Prediction of dual NF-κB/IκB inhibitors using an integrative in-silico approaches
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Prediction of dual NF-κB/IκB inhibitors using an integrative in-silico approaches

Abbasi, Maryam ; Mahboubi-Rabbani, Mohammad ; Kashfi, Khosrow ; Sadeghi-Aliabadi, Hojjat

Journal of biomolecular structure & dynamics, 2023, Vol.41 (23), p.14164-14178 [Periódico revisado por pares]

England: Taylor & Francis

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3
Icosahedral Ir, Rh, Pt, and Cu nanoclusters into gold vapor environment: Thermodynamic and structural analysis of the formed core@shell nanoclusters using MD simulations
Icosahedral Ir, Rh, Pt, and Cu nanoclusters into gold vapor environment: Thermodynamic and structural analysis of the formed core@shell nanoclusters using MD simulations
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Icosahedral Ir, Rh, Pt, and Cu nanoclusters into gold vapor environment: Thermodynamic and structural analysis of the formed core@shell nanoclusters using MD simulations

Abbaspour, Mohsen ; Akbarzadeh, Hamed ; Lotfi, Samira

Journal of alloys and compounds, 2018-10, Vol.764, p.323-332 [Periódico revisado por pares]

Lausanne: Elsevier B.V

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4
The inhibitory effect of some natural bioactive compounds against SARS-CoV-2 main protease: insights from molecular docking analysis and molecular dynamic simulation
The inhibitory effect of some natural bioactive compounds against SARS-CoV-2 main protease: insights from molecular docking analysis and molecular dynamic simulation
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The inhibitory effect of some natural bioactive compounds against SARS-CoV-2 main protease: insights from molecular docking analysis and molecular dynamic simulation

Abdelrheem, Doaa A. ; Ahmed, Shimaa A. ; Abd El-Mageed, H. R. ; Mohamed, Hussein S. ; Rahman, Aziz A. ; Elsayed, Khaled N. M. ; Ahmed, Sayed A.

Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering, 2020-09, Vol.55 (11), p.1373-1386 [Periódico revisado por pares]

England: Taylor & Francis

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5
Chemical reactivity and regioselectivity investigation for the formation of 3,5-disubstituted isoxazole via cycloaddition [2 + 3] and antitrypanosomal activity prediction
Chemical reactivity and regioselectivity investigation for the formation of 3,5-disubstituted isoxazole via cycloaddition [2 + 3] and antitrypanosomal activity prediction
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Chemical reactivity and regioselectivity investigation for the formation of 3,5-disubstituted isoxazole via cycloaddition [2 + 3] and antitrypanosomal activity prediction

Abdessadak, Oumayma ; Ouabane, Mohamed ; Aziz Ajana, Mohammed ; Lakhlifi, Tahar ; Bouachrine, Mohammed

Computational and theoretical chemistry, 2024-03, Vol.1233, p.114478, Article 114478 [Periódico revisado por pares]

Elsevier B.V

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6
Experimental and theoretical studies of pyrazole-4-carbaldehyde derivatives by X-ray crystallography, DFT, molecular docking, and molecular dynamics simulation
Experimental and theoretical studies of pyrazole-4-carbaldehyde derivatives by X-ray crystallography, DFT, molecular docking, and molecular dynamics simulation
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Experimental and theoretical studies of pyrazole-4-carbaldehyde derivatives by X-ray crystallography, DFT, molecular docking, and molecular dynamics simulation

Abdulaziz, Fahad ; Jamal, Asif ; Faizi, Md. Serajul Haque ; Peedikakkal, Abdul Malik P. ; Hussain, Afzal ; Al-Busaidi, Idris Juma ; Dege, Necmi ; Alenezi, Khalaf M. ; Haque, Ashanul

Journal of molecular structure, 2025-02, Vol.1321, p.139796, Article 139796 [Periódico revisado por pares]

Elsevier B.V

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7
Semantic-Based Multi-Domain Data Access Authorization
Semantic-Based Multi-Domain Data Access Authorization
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Semantic-Based Multi-Domain Data Access Authorization

AbdulKadhim, Noor ; Al-Wahah, Mouiad

Journal of physics. Conference series, 2021-03, Vol.1818 (1), p.12211 [Periódico revisado por pares]

Bristol: IOP Publishing

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8
Anti-enzymatic and DNA docking studies of montelukast: A multifaceted molecular scaffold with in vitro investigations, molecular expression analysis and molecular dynamics simulations
Anti-enzymatic and DNA docking studies of montelukast: A multifaceted molecular scaffold with in vitro investigations, molecular expression analysis and molecular dynamics simulations
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Anti-enzymatic and DNA docking studies of montelukast: A multifaceted molecular scaffold with in vitro investigations, molecular expression analysis and molecular dynamics simulations

Abdullah, Shawana ; Iqbal, Ambar ; Ashok, Avinash Karkada ; Kaouche, Farah Chafika ; Aslam, Misbah ; Hussain, Safdar ; Rahman, Jameel ; Hayat, Muhammad Munawar ; Ashraf, Muhammad

Heliyon, 2024-01, Vol.10 (2), p.e24470-e24470, Article e24470 [Periódico revisado por pares]

England: Elsevier Ltd

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9
Computational Exploration of Fluorocyclopentenyl‐purines and‐pyrimidines Derivatives as Potential Inhibitors of Epidermal Growth Factor Receptor (EGFR) for the Treatment of Breast Cancer
Computational Exploration of Fluorocyclopentenyl‐purines and‐pyrimidines Derivatives as Potential Inhibitors of Epidermal Growth Factor Receptor (EGFR) for the Treatment of Breast Cancer
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Computational Exploration of Fluorocyclopentenyl‐purines and‐pyrimidines Derivatives as Potential Inhibitors of Epidermal Growth Factor Receptor (EGFR) for the Treatment of Breast Cancer

Abida Ejaz, Syeda ; Sajjad Bilal, Muhammad ; Aziz, Mubashir ; Wani, Tanveer A. ; Zargar, Seema ; Fayyaz, Ammara ; Hassan, Sidra ; Ahmed, Aftab ; Al Kahtani, Hammad M. ; Siddique, Farhan

Chemistry & biodiversity, 2023-12, Vol.20 (12), p.e202301190-n/a [Periódico revisado por pares]

Switzerland: Wiley Subscription Services, Inc

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10
Synthesis and Characterization of New Macromolecular Epoxy Resin as an Effective Corrosion Inhibitor for C38 Steel in 1 M HCl Medium: Electrochemical Insights, Surface Morphological and Computational Approaches
Synthesis and Characterization of New Macromolecular Epoxy Resin as an Effective Corrosion Inhibitor for C38 Steel in 1 M HCl Medium: Electrochemical Insights, Surface Morphological and Computational Approaches
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Synthesis and Characterization of New Macromolecular Epoxy Resin as an Effective Corrosion Inhibitor for C38 Steel in 1 M HCl Medium: Electrochemical Insights, Surface Morphological and Computational Approaches

Abouchane, Mohamed ; Hsissou, Rachid ; Chraka, Anas ; Molhi, Abdu ; Damej, Mohamed ; Tassaoui, Kawtar ; Berisha, Avni ; Seydou, Mahamadou ; Elemine, Brahim Ould ; Benmessaoud, Mohammed

Journal of bio- and tribo-corrosion, 2024-06, Vol.10 (2), Article 21 [Periódico revisado por pares]

Cham: Springer International Publishing

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Deste Autor:

  1. Leite, C
  2. Gohn, G
  3. Batezelli, A

Neste Assunto:

  1. Science & Technology
  2. Life Sciences & Biomedicine
  3. Molecular Dynamics
  4. Physical Sciences
  5. Technology

  • Realização: ABCD-USP USP   Logos de Redes Sociais: Freepik

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