Qualitative and Quantitative Analysis of Anti-viral Compounds against SARS-CoV-2 Protease Enzyme by Molecular Dynamics Simulation and MM/PBSA Method

Saghi Sepehri ^1,2 * , Niloufar Hashemidanesh ^1,3, Karim Mahnam ⁴, Hila Asham ^1,3

Cited by CrossRef: 2

1- Khalilzadeh M, Saberi S, Noori G, Vaziri M, Sepehri S, Bakherad H, Esmaeili-Fallah M, Mirzayi S, Farhadi G. Synthesis, biological assessment, and computational investigations of nifedipine and monastrol analogues as anti-leishmanial major and anti-microbial agents. Mol Divers. 2023;27(6):2555 [Crossref]

2- Molaei S, Farhadi G, Talezari M, Gholizadeh N, Mahnam K, Keivanloo A, Sepehri S. One-pot synthesis of polyhydroquinoline-1,2,3-triazole hybrids in deep eutectic solvent as anti-leishmanial agents and molecular modeling studies. Journal of Biomolecular Structure and Dynamics. 2024;42(9):4834 [Crossref]

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