Egyptian Journal of Chemistry

Keywords = Molecular Dynamics

Discovery of novel natural compounds for inhibiting JNK signaling in cancer: Multi-step virtual screening, MM-GBSA calculations, and molecular dynamics simulations

Volume 68, Issue 5, May 2025, Pages 23-35

10.21608/ejchem.2024.297681.9866

Abdulrahim A. Alzain; Rayan Yousif; Mohammed A. Almogaddam; Hazem G. A. Hussein; Ehda Ahmad Awad; Ahmed Mohammad Alraddadi; Shaimaa G. A. Mohamed; Abdullah L. Alalawi; Gamal A. Mohamed; Abdulmajeed M. Althubyani; Sabrin R. M. Ibrahim

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Molecular dynamics simulations of Lithium Fluoride aqueous solutions: Effects of ion concentration on the structural and dynamical properties at T=300 K

Volume 65, Issue 2, February 2022, Pages 1-8

10.21608/ejchem.2021.67302.3453

Abdelkbir Errougui; Mohammed Talbi; M’hammed El Kouali

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Discovery of novel natural compounds for inhibiting JNK signaling in cancer: Multi-step virtual screening, MM-GBSA calculations, and molecular dynamics simulations

Molecular dynamics simulations of Lithium Fluoride aqueous solutions: Effects of ion concentration on the structural and dynamical properties at T=300 K

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