Keywords = Molecular Dynamics
Discovery of a Potential Inhibitor Against Lung Cancer: Computational Approaches and Molecular Dynamics Study

Volume 12, Issue 3, September 2024, Pages 579-589

El Mehdi Karim; Oussama ABCHIR; Hassan Nour; Imane Yamari; Laila Bennani; MHammed El kouali; Mohammed Talbi; Abdelkbir Errougui; Samir Chtita

Discovery of a Potential Inhibitor Against Lung Cancer: Computational Approaches and Molecular Dynamics Study


In Silico Approach for Designing Novel SARS-CoV-2 Inhibitors from Medicinal Plants

Volume 11, Issue 3, September 2023, Pages 589-604

Romuald Tematio Fouedjou; Ossama Daoui; H. Nour; Monisa Ayoub; Hervet Paulain Dongmo Fogang; Farhan Siddique; Souad Elkhattabi; Mohamed Bakhouch; S. Belaidi; Samir Chtita

In Silico Approach for Designing Novel SARS-CoV-2 Inhibitors from Medicinal Plants


In Silico Prediction of Novel (TRIM24) Bromodomain Inhibitors: A Combination of 3D-QSAR, Molecular Docking, ADMET Prediction, and Molecular Dynamics Simulation

Volume 10, Issue 4, December 2022, Pages 519-535

Chedadi Oussama; EL Aissouq Abbdellah; El Ouardi Youssef; Mohammed Bouachrine; Abdelkrim Ouammou

In Silico Prediction of Novel (TRIM24) Bromodomain Inhibitors: A Combination of 3D-QSAR, Molecular Docking, ADMET Prediction, and Molecular Dynamics Simulation


Modified D-Glucofuranoses as New Black Fungus Protease Inhibitors: Computational Screening, Docking, Dynamics, and QSAR Study

Volume 10, Issue 2, June 2022, Pages 195-209

Mohammad Atiqur Rahman; Mohammed Mahbubul Matin; Ajoy Kumer; Unesco Chakma; Md. Rezaur Rahman

Modified D-Glucofuranoses as New Black Fungus Protease Inhibitors: Computational Screening, Docking, Dynamics, and QSAR Study