Khaled H. Barakat

Publication Activity (10 Years)

Years Active: 2013-2024
Publications (10 Years): 6

Top Topics

Learning Models

Cluster Ensemble

Feature Representation

Top Venues

J. Chem. Inf. Model.

Comput. Biol. Medicine

BMC Medical Informatics Decis. Mak.

Publications

Farag E. S. Mosa, Sara Alrawashdeh, Ayman O. S. El-Kadi, Khaled H. Barakat
Investigating the Aryl Hydrocarbon Receptor Agonist/Antagonist Conformational Switch Using Well-Tempered Metadynamics Simulations. J. Chem. Inf. Model. 64 (6) (2024)
Issar Arab, Kristof Egghe, Kris Laukens, Ke Chen, Khaled H. Barakat, Wout Bittremieux
Benchmarking of Small Molecule Feature Representations for hERG, Nav1.5, and Cav1.2 Cardiotoxicity Prediction. J. Chem. Inf. Model. 64 (7) (2024)
Maryam Jama, Marawan Ahmed, Anna Jutla, Carson Wiethan, Jitendra Kumar, Tae Chul Moon, Frederick West, Michael Overduin, Khaled H. Barakat
Discovery of allosteric SHP2 inhibitors through ensemble-based consensus molecular docking, endpoint and absolute binding free energy calculations. Comput. Biol. Medicine 152 (2023)
Alaa M. Elgohary, Abdo A. Elfiky, Khaled H. Barakat
perspective. Comput. Biol. Medicine 139 (2021)
Issar Arab, Khaled H. Barakat
ToxTree: descriptor-based machine learning models for both hERG and Nav1.5 cardiotoxicity liability predictions. CoRR (2021)
Aravindhan Ganesan, Theinmozhi Arulraj, Tahir Choulli, Khaled H. Barakat
A mathematical modelling tool for unravelling the antibody-mediated effects on CTLA-4 interactions. BMC Medical Informatics Decis. Mak. 18 (1) (2018)
Khaled H. Barakat, Anwar Anwar-Mohamed, Jack A. Tuszynski, Morris J. Robins, D. Lorne Tyrrell, Michael Houghton
A Refined Model of the HCV NS5A Protein Bound to Daclatasvir Explains Drug-Resistant Mutations and Activity against Divergent Genotypes. J. Chem. Inf. Model. 55 (2) (2015)
Khaled H. Barakat, Michael Houghton, D. Lorne Tyrrell, Jack A. Tuszynski
Rational Drug Design: One Target, Many Paths to It. Int. J. Comput. Model. Algorithms Medicine 4 (1) (2014)
Gang Hu, Kui Wang, Jody Groenendyk, Khaled H. Barakat, Marcin J. Mizianty, Jishou Ruan, Marek Michalak, Lukasz A. Kurgan
Human structural proteome-wide characterization of Cyclosporine A targets. Bioinform. 30 (24) (2014)
Khaled H. Barakat, John Law, Alessio Prunotto, Wendy C. Magee, David H. Evans, D. Lorne Tyrrell, Jack A. Tuszynski, Michael Houghton
Detailed Computational Study of the Active Site of the Hepatitis C Viral RNA Polymerase to Aid Novel Drug Design. J. Chem. Inf. Model. 53 (11) (2013)