Khaled H. Barakat

12 papers Journal 11
YearRankTypeTitle / Venue / Authors
2025 J jnl
Designing a multi-neoantigen vaccine for melanoma: Integrating immunoinformatics and biophysics methods.
Comput. Biol. Medicine
Saba Ismail, Khaled H. Barakat
2024 J jnl
Benchmarking of Small Molecule Feature Representations for hERG, Nav1.5, and Cav1.2 Cardiotoxicity Prediction.
J. Chem. Inf. Model.
Issar Arab, Kristof Egghe, Kris Laukens, Ke Chen, Khaled H. Barakat, Wout Bittremieux
2024 J jnl
Investigating the Aryl Hydrocarbon Receptor Agonist/Antagonist Conformational Switch Using Well-Tempered Metadynamics Simulations.
J. Chem. Inf. Model.
Farag E. S. Mosa, Sara Alrawashdeh, Ayman O. S. El-Kadi, Khaled H. Barakat
2023 J jnl
Discovery of allosteric SHP2 inhibitors through ensemble-based consensus molecular docking, endpoint and absolute binding free energy calculations.
Comput. Biol. Medicine
Maryam Jama, Marawan Ahmed, Anna Jutla, Carson Wiethan, Jitendra Kumar, Tae Chul Moon, Frederick West, Michael Overduin, Khaled H. Barakat
2021 J jnl
GRP78: A possible relationship of COVID-19 and the mucormycosis;
Comput. Biol. Medicine
Alaa M. Elgohary, Abdo A. Elfiky, Khaled H. Barakat
2021 J jnl
ToxTree: descriptor-based machine learning models for both hERG and Nav1.5 cardiotoxicity liability predictions.
CoRR
Issar Arab, Khaled H. Barakat
2018 J jnl
A mathematical modelling tool for unravelling the antibody-mediated effects on CTLA-4 interactions.
BMC Medical Informatics Decis. Mak.
Aravindhan Ganesan, Theinmozhi Arulraj, Tahir Choulli, Khaled H. Barakat
2015 J jnl
A Refined Model of the HCV NS5A Protein Bound to Daclatasvir Explains Drug-Resistant Mutations and Activity against Divergent Genotypes.
J. Chem. Inf. Model.
Khaled H. Barakat, Anwar Anwar-Mohamed, Jack Adam Tuszynski, Morris J. Robins, D. Lorne Tyrrell, Michael Houghton
2014 J jnl
Human structural proteome-wide characterization of Cyclosporine A targets.
Bioinform.
Gang Hu, Kui Wang, Jody Groenendyk, Khaled H. Barakat, Marcin J. Mizianty, Jishou Ruan, Marek Michalak, Lukasz A. Kurgan
2014 J jnl
Rational Drug Design: One Target, Many Paths to It.
Int. J. Comput. Model. Algorithms Medicine
Khaled H. Barakat, Michael Houghton, D. Lorne Tyrrell, Jack Adam Tuszynski
2013 J jnl
Detailed Computational Study of the Active Site of the Hepatitis C Viral RNA Polymerase to Aid Novel Drug Design.
J. Chem. Inf. Model.
Khaled H. Barakat, John Law, Alessio Prunotto, Wendy C. Magee, David H. Evans, D. Lorne Tyrrell, Jack Adam Tuszynski, Michael Houghton
2011 — ch.
Virtual Screening: An Overview on Methods and Applications.
Handbook of Research on Computational and Systems Biology
Khaled H. Barakat, Jonathan Y. Mane, Jack Adam Tuszynski