Ikuti
Dina El Ahdab
Dina El Ahdab
Qubit Pharmaceuticals / Sorbonne Université / Université Saint-Joseph de Beyrouth
Email yang diverifikasi di qubit-pharmaceuticals.com - Beranda
Judul
Dikutip oleh
Dikutip oleh
Tahun
High-resolution mining of the SARS-CoV-2 main protease conformational space: supercomputer-driven unsupervised adaptive sampling
TJ Inizan, F Célerse, O Adjoua, D El Ahdab, LH Jolly, C Liu, P Ren, ...
Chemical Science 12 (13), 4889-4907, 2021
462021
Computationally driven discovery of SARS-CoV-2 M pro inhibitors: from design to experimental validation
L El Khoury, Z Jing, A Cuzzolin, A Deplano, D Loco, B Sattarov, F Hédin, ...
Chemical science 13 (13), 3674-3687, 2022
302022
Interfacial water many-body effects drive structural dynamics and allosteric interactions in SARS-CoV-2 main protease dimerization interface
D El Ahdab, L Lagardere, TJ Inizan, F Célerse, C Liu, O Adjoua, LH Jolly, ...
The journal of physical chemistry letters 12 (26), 6218-6226, 2021
232021
AMOEBA Polarizable Molecular Dynamics Simulations of Guanine Quadruplexes: from the c-Kit Proto-oncogene to HIV-1
DS El Ahdab, L Lagardere, Z Hobaika, TJ Inizan, F Célerse, N Gresh, ...
bioRxiv, 2024.08. 28.610081, 2024
2024
Analysis of complex systems by polarizable molecular dynamics, towards a rational drug design: from Guanine quadruplexes to SARS-CoV-2
D El Ahdab
< bound method Organization. get_name_with_acronym of< Organization: TEL …, 2021
2021
Analyse de systèmes complexes par dynamique moléculaire polarisable, vers une conception rationnelle de médicaments: des quadruplexes de Guanine au SARS-CoV-2
D El Ahdab
Sorbonne Université; Université Saint-Joseph (Beyrouth), 2021
2021
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