Khaled Barakat

When theory meets experiment: the PD-1 challenge

Marawan Ahmed, Khaled Barakat, Marawan Ahmed, 2017, Journal of Molecular Modeling.

Molecular dynamics-driven drug discovery: leaping forward with confidence.

Michelle L Coote, Khaled Barakat, Aravindhan Ganesan, 2017, Drug discovery today.

ToxTree: descriptor-based machine learning models for both hERG and Nav1.5 cardiotoxicity liability predictions pdf

Issar Arab, Khaled Barakat, 2021, ArXiv.

Human PD-1 binds differently to its human ligands: a comprehensive modeling study.

Marawan Ahmed, Khaled Barakat, Clement Viricel, 2015, Journal of molecular graphics & modelling.

Effects of Temperature on the p53-DNA Binding Interactions and Their Dynamical Behavior: Comparing the Wild Type to the R248Q Mutant

Jack Tuszynski, Khaled Barakat, J. Tuszynski, 2011, PloS one.

Discovery and characterization of the laulimalide-microtubule binding mode by mass shift perturbation mapping.

David C Schriemer, Jack Tuszynski, Khaled Barakat, 2010, Chemistry & biology.

Ensemble-based virtual screening reveals dual-inhibitors for the p53-MDM2/MDMX interactions.

Jonathan Y. Mane, Jack Tuszynski, Khaled Barakat, 2010, Journal of molecular graphics & modelling.