Computational Characterization of Small Molecules Binding to the Human XPF Active Site and Virtual Screening to Identify Potential New DNA Repair Inhibitors Targeting the ERCC1-XPF...

por Gentile, Francesco, Barakat, Khaled H., Tuszynski, Jack A.
Publicado 2018

A mathematical modelling tool for unravelling the antibody-mediated effects on CTLA-4 interactions

por Ganesan, Aravindhan, Arulraj, Theinmozhi, Choulli, Tahir, Barakat, Khaled H.
Publicado 2018

Effects of protein-protein interactions and ligand binding on the ion permeation in KCNQ1 potassium channel

por Jalily Hasani, Horia, Ganesan, Aravindhan, Ahmed, Marawan, Barakat, Khaled H.
Publicado 2018

Tackling Immune Targets for Breast Cancer: Beyond PD-1/PD-L1 Axis

por Tabana, Yasser, Okoye, Isobel S., Siraki, Arno, Elahi, Shokrollah, Barakat, Khaled H.
Publicado 2021

A Novel Interaction Between the TLR7 and a Colchicine Derivative Revealed Through a Computational and Experimental Study

por Gentile, Francesco, Deriu, Marco A., Barakat, Khaled H., Danani, Andrea, Tuszynski, Jack A.
Publicado 2018

Virtual Screening and Biological Evaluation of Inhibitors Targeting the XPA-ERCC1 Interaction

por Barakat, Khaled H., Jordheim, Lars P., Perez-Pineiro, Rolando, Wishart, David, Dumontet, Charles, Tuszynski, Jack A.
Publicado 2012

A structure-based computational workflow to predict liability and binding modes of small molecules to hERG

por Kalyaanamoorthy, Subha, Lamothe, Shawn M., Hou, Xiaoqing, Moon, Tae Chul, Kurata, Harley T., Houghton, Michael, Barakat, Khaled H.
Publicado 2020

Computational Predictions of Volatile Anesthetic Interactions with the Microtubule Cytoskeleton: Implications for Side Effects of General Anesthesia

por Craddock, Travis J. A., St. George, Marc, Freedman, Holly, Barakat, Khaled H., Damaraju, Sambasivarao, Hameroff, Stuart, Tuszynski, Jack A.
Publicado 2012

Modulation of ERCC1-XPF Heterodimerization Inhibition via Structural Modification of Small Molecule Inhibitor Side-Chains

por Weilbeer, Claudia, Jay, David, Donnelly, James C., Gentile, Francesco, Karimi-Busheri, Feridoun, Yang, Xiaoyan, Mani, Rajam S., Yu, Yaping, Elmenoufy, Ahmed H., Barakat, Khaled H., Tuszynski, Jack A., Weinfeld, Michael, West, Frederick G.
Publicado 2022