Enhancing Paraoxon Binding to Organophosphorus Hydrolase Active Site

por El Khoury, Léa, Mobley, David L., Ye, Dongmei, Rempe, Susan B.
Publicado 2021

Temperature artifacts in protein structures bias ligand-binding predictions

por Bradford, Shanshan Y. C., El Khoury, Léa, Ge, Yunhui, Osato, Meghan, Mobley, David L., Fischer, Marcus
Publicado 2021

B-Cell Lymphoblastic Lymphoma in Relapse Presenting as a Uterine Mass: A Case Report and Review of Literature

por Abou Chakra, Rim, Najib, Bernard, Abdallah, Wael, Akiki, Mira, El Khoury, Lea, Atoui, Ali, Moubarak, Malak, Atallah, David
Publicado 2021

Quantum-Chemistry Based Design of Halobenzene Derivatives With Augmented Affinities for the HIV-1 Viral G(4)/C(16) Base-Pair

por El Darazi, Perla, El Khoury, Léa, El Hage, Krystel, Maroun, Richard G., Hobaika, Zeina, Piquemal, Jean-Philip, Gresh, Nohad
Publicado 2020

Computationally driven discovery of SARS-CoV-2 M(pro) inhibitors: from design to experimental validation

por El Khoury, Léa, Jing, Zhifeng, Cuzzolin, Alberto, Deplano, Alessandro, Loco, Daniele, Sattarov, Boris, Hédin, Florent, Wendeborn, Sebastian, Ho, Chris, El Ahdab, Dina, Jaffrelot Inizan, Theo, Sturlese, Mattia, Sosic, Alice, Volpiana, Martina, Lugato, Angela, Barone, Marco, Gatto, Barbara, Macchia, Maria Ludovica, Bellanda, Massimo, Battistutta, Roberto, Salata, Cristiano, Kondratov, Ivan, Iminov, Rustam, Khairulin, Andrii, Mykhalonok, Yaroslav, Pochepko, Anton, Chashka-Ratushnyi, Volodymyr, Kos, Iaroslava, Moro, Stefano, Montes, Matthieu, Ren, Pengyu, Ponder, Jay W., Lagardère, Louis, Piquemal, Jean-Philip, Sabbadin, Davide
Publicado 2022