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BMC Medical Informatics and Decision Making|June 13, 2018
A mathematical modelling tool for unravelling the antibody-mediated effects on CTLA-4 interactionsAravindhan Ganesan, Theinmozhi Arulraj, Tahir Choulli, et al.Plos One|February 15, 2018
Effects of protein-protein interactions and ligand binding on the ion permeation in KCNQ1 potassium channelHoria Jalily Hasani, Aravindhan Ganesan, Marawan Ahmed, et al.Journal of Molecular Graphics & Modelling|September 26, 2015
Entropy in bimolecular simulations: A comprehensive review of atomic fluctuations-based methodsSummer Kassem, Marawan Ahmed, Salah El-Sheikh, et al.In Silico Pharmacology|January 30, 2026
Structural insights into the binding modes of SHP2 allosteric inhibitorsMaryam Jama, Farag E S Mosa, Michael Overduin, et al.Frontiers in Oncology|March 22, 2021
Tackling Immune Targets for Breast Cancer: Beyond PD-1/PD-L1 AxisYasser Tabana, Isobel S Okoye, Arno Siraki, et al.Pharmaceutics|September 27, 2025
Indirect Modeling of Post-Prandial Intestinal Lymphatic Uptake of Halofantrine Using PBPK Approaches: Limitations and ImplicationsMalaz Yousef, Farag E S Mosa, Khaled H Barakat, et al.Journal of Molecular Graphics & Modelling|May 29, 2009
Characterization of an inhibitory dynamic pharmacophore for the ERCC1-XPA interaction using a combined molecular dynamics and virtual screening approachKhaled H Barakat, J Torin Huzil, Tyler Luchko, et al.Molecular Pharmaceutics|October 8, 2013
A computational model for overcoming drug resistance using selective dual-inhibitors for aurora kinase A and its T217D variantKhaled H Barakat, J Torin Huzil, Kirk E Jordan, et al.Plos One|December 29, 2012
Virtual screening and biological evaluation of inhibitors targeting the XPA-ERCC1 interactionKhaled H Barakat, Lars P Jordheim, Rolando Perez-Pineiro, et al.Journal of Chemical Information and Modeling|April 16, 2014
A Refined Model of the HCV NS5A protein bound to daclatasvir explains drug-resistant mutations and activity against divergent genotypesKhaled H Barakat, Anwar Anwar-Mohamed, Jack A Tuszynski, et al.Pageof 4