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Journal of Biomolecular Structure & Dynamics
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July 28, 2021
Combined molecular docking and dynamics simulations studies of natural compounds as potent inhibitors against SARS-CoV-2 main protease
Mebarka Ouassaf, Salah Belaidi, Samir Chtita, et al.
Frontiers in Chemistry
|
December 17, 2025
Deep learning-guided discovery of selective JAK2-JH2 allosteric inhibitors: integration of MLP predictive modeling, BREED-based library design, and computational validation
Mebarka Ouassaf, Afaf Zekri, Shafi Ullah Khan, et al.
Molecules (Basel, Switzerland)
|
March 28, 2024
Identification of Potent Acetylcholinesterase Inhibitors as New Candidates for Alzheimer Disease via Virtual Screening, Molecular Docking, Dynamic Simulation, and Molecular Mechanics-Poisson-Boltzmann Surface Area Calculations
Hind Yassmine Chennai, Salah Belaidi, Lotfi Bourougaa, et al.
Molecular Biotechnology
|
December 29, 2024
Identification and Evaluation of Natural Compounds as Potential Inhibitors of NS2B-NS3 Zika Virus Protease: A Computational Approach
Nada Anede, Mebarka Ouassaf, Kannan R R Rengasamy, et al.
Acta Chimica Slovenica
|
July 21, 2022
Combined Pharmacophore Modeling, 3D-QSAR, Molecular Docking and Molecular Dynamics Study on Indolyl-aryl-sulfone Derivatives as New HIV1 Inhibitors
Mebarka Ouassaf, Faizan Abul Qais, Salah Belaidi, et al.
Bioengineering (Basel, Switzerland)
|
June 26, 2025
Discovery of Novel Natural Inhibitors of H5N1 Neuraminidase Using Integrated Molecular Modeling and ADMET Prediction
Afaf Zekri, Mebarka Ouassaf, Shafi Ullah Khan, et al.
International Journal of Molecular Sciences
|
April 17, 2025
Machine Learning-Guided Screening and Molecular Docking for Proposing Naturally Derived Drug Candidates Against MERS-CoV 3CL Protease
Mebarka Ouassaf, Radhia Mazri, Shafi Ullah Khan, et al.
Journal of King Saud University. Science
|
February 9, 2021
Combined docking methods and molecular dynamics to identify effective antiviral 2, 5-diaminobenzophenonederivatives against SARS-CoV-2
Mebarka Ouassaf, Salah Belaidi, Muneerah Mogren Al Mogren, et al.
Current Issues in Molecular Biology
|
October 28, 2025
In Silico Network Pharmacology, Molecular Docking, and Molecular Dynamics Analysis of Rosemary-Derived Compounds as Potential HSP90 Inhibitors for Cancer Therapy
Radhia Mazri, Mebarka Ouassaf, Afaf Zekri, et al.
Journal of Molecular Modeling
|
March 30, 2022
Design of novel benzimidazole derivatives as potential α-amylase inhibitors using QSAR, pharmacokinetics, molecular docking, and molecular dynamics simulation studies
Oussama Abchir, Ossama Daoui, Salah Belaidi, et al.
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of 3
Search research articles
Search
Showing results (11-20 of 25) with videos related to
Sort By:
Page
of 3
Journal of Biomolecular Structure & Dynamics
|
July 28, 2021
Combined molecular docking and dynamics simulations studies of natural compounds as potent inhibitors against SARS-CoV-2 main protease
Mebarka Ouassaf, Salah Belaidi, Samir Chtita, et al.
Frontiers in Chemistry
|
December 17, 2025
Deep learning-guided discovery of selective JAK2-JH2 allosteric inhibitors: integration of MLP predictive modeling, BREED-based library design, and computational validation
Mebarka Ouassaf, Afaf Zekri, Shafi Ullah Khan, et al.
Molecules (Basel, Switzerland)
|
March 28, 2024
Identification of Potent Acetylcholinesterase Inhibitors as New Candidates for Alzheimer Disease via Virtual Screening, Molecular Docking, Dynamic Simulation, and Molecular Mechanics-Poisson-Boltzmann Surface Area Calculations
Hind Yassmine Chennai, Salah Belaidi, Lotfi Bourougaa, et al.
Molecular Biotechnology
|
December 29, 2024
Identification and Evaluation of Natural Compounds as Potential Inhibitors of NS2B-NS3 Zika Virus Protease: A Computational Approach
Nada Anede, Mebarka Ouassaf, Kannan R R Rengasamy, et al.
Acta Chimica Slovenica
|
July 21, 2022
Combined Pharmacophore Modeling, 3D-QSAR, Molecular Docking and Molecular Dynamics Study on Indolyl-aryl-sulfone Derivatives as New HIV1 Inhibitors
Mebarka Ouassaf, Faizan Abul Qais, Salah Belaidi, et al.
Bioengineering (Basel, Switzerland)
|
June 26, 2025
Discovery of Novel Natural Inhibitors of H5N1 Neuraminidase Using Integrated Molecular Modeling and ADMET Prediction
Afaf Zekri, Mebarka Ouassaf, Shafi Ullah Khan, et al.
International Journal of Molecular Sciences
|
April 17, 2025
Machine Learning-Guided Screening and Molecular Docking for Proposing Naturally Derived Drug Candidates Against MERS-CoV 3CL Protease
Mebarka Ouassaf, Radhia Mazri, Shafi Ullah Khan, et al.
Journal of King Saud University. Science
|
February 9, 2021
Combined docking methods and molecular dynamics to identify effective antiviral 2, 5-diaminobenzophenonederivatives against SARS-CoV-2
Mebarka Ouassaf, Salah Belaidi, Muneerah Mogren Al Mogren, et al.
Current Issues in Molecular Biology
|
October 28, 2025
In Silico Network Pharmacology, Molecular Docking, and Molecular Dynamics Analysis of Rosemary-Derived Compounds as Potential HSP90 Inhibitors for Cancer Therapy
Radhia Mazri, Mebarka Ouassaf, Afaf Zekri, et al.
Journal of Molecular Modeling
|
March 30, 2022
Design of novel benzimidazole derivatives as potential α-amylase inhibitors using QSAR, pharmacokinetics, molecular docking, and molecular dynamics simulation studies
Oussama Abchir, Ossama Daoui, Salah Belaidi, et al.
Page
of 3