Marawan Ahmed
Title
Cited by
Cited by
Year
Comprehensive in vitro characterization of PD-L1 small molecule inhibitors
A Ganesan, M Ahmed, I Okoye, E Arutyunova, D Babu, WL Turnbull, ...
Scientific reports 9 (1), 1-19, 2019
472019
Human PD-1 binds differently to its human ligands: A comprehensive modeling study
C Viricel, M Ahmed, K Barakat
Journal of Molecular Graphics and Modelling 57, 131-142, 2015
412015
In silico design: extended molecular dynamic simulations of a new series of dually acting inhibitors against EGFR and HER2
M Ahmed, MM Sadek, KA Abouzid, F Wang
Journal of Molecular Graphics and Modelling 44, 220-231, 2013
352013
Targeting the Achilles heel of the hepatitis B virus: a review of current treatments against covalently closed circular DNA
M Ahmed, F Wang, A Levin, C Le, Y Eltayebi, M Houghton, L Tyrrell, ...
Drug discovery today 20 (5), 548-561, 2015
312015
Entropy in bimolecular simulations: A comprehensive review of atomic fluctuations-based methods
S Kassem, M Ahmed, S El-Sheikh, KH Barakat
Journal of Molecular Graphics and Modelling 62, 105-117, 2015
262015
Discovery of new HER2/EGFR dual kinase inhibitors based on the anilinoquinazoline scaffold as potential anti-cancer agents
MM Sadek, RA Serrya, AHN Kafafy, M Ahmed, F Wang, KAM Abouzid
Journal of enzyme inhibition and medicinal chemistry 29 (2), 215-222, 2014
262014
Discovery of Novel Peptidomimetics as Irreversible CHIKV NsP2 Protease Inhibitors Using Quantum Mechanical‐Based Ligand Descriptors
EM El‐labbad, MAH Ismail, DA Abou Ei Ella, M Ahmed, F Wang, ...
Chemical biology & drug design 86 (6), 1518-1527, 2015
232015
Assessment of new anti-HER2 ligands using combined docking, QM/MM scoring and MD simulation
M Ahmed, MM Sadek, RA Serrya, AHN Kafafy, KA Abouzid, F Wang
Journal of Molecular Graphics and Modelling 40, 91-98, 2013
222013
Modeling the human Nav1. 5 sodium channel: structural and mechanistic insights of ion permeation and drug blockade
M Ahmed, HJ Hasani, A Ganesan, M Houghton, K Barakat
Drug Design, Development and Therapy 11, 2301, 2017
192017
Photoelectron spectra and electronic structures of the radiosensitizer nimorazole and related compounds
L Feketeova, O Plekan, M Goonewardane, M Ahmed, AL Albright, J White, ...
The Journal of Physical Chemistry A 119 (39), 9986-9995, 2015
162015
Design, synthesis, biological evaluation and dynamics simulation of indazole derivatives with antiangiogenic and antiproliferative anticancer activity
NMY Elsayed, RAT Serya, MF Tolba, M Ahmed, K Barakat, ...
Bioorganic chemistry 82, 340-359, 2019
152019
Adsorption of cytosine and aza derivatives of cytidine on Au single crystal surfaces
M Iakhnenko, V Feyer, N Tsud, O Plekan, F Wang, M Ahmed, ...
The Journal of Physical Chemistry C 117 (36), 18423-18433, 2013
152013
In silico investigation of lactone and thiolactone inhibitors in bacterial quorum sensing using molecular modeling
M Ahmed, S Bird, F Wang, EA Palombo
arXiv preprint arXiv:1305.3691, 2013
152013
Effects of protein-protein interactions and ligand binding on the ion permeation in KCNQ1 potassium channel
H Jalily Hasani, A Ganesan, M Ahmed, KH Barakat
PloS one 13 (2), e0191905, 2018
142018
The Too Many Faces of PD-L1: A Comprehensive Conformational Analysis Study
M Ahmed, K Barakat
Biochemistry 56 (40), 5428-5439, 2017
142017
Photoelectron spectra of some antibiotic building blocks: 2-azetidinone and thiazolidine-carboxylic acid
M Ahmed, A Ganesan, F Wang, V Feyer, O Plekan, KC Prince
The Journal of Physical Chemistry A 116 (33), 8653-8660, 2012
142012
A comprehensive structural model for the human KCNQ1/KCNE1 ion channel
HJ Hasani, M Ahmed, K Barakat
Journal of Molecular Graphics and Modelling 78, 26-47, 2017
132017
A Comprehensive Computational Analysis for the Binding Modes of Hepatitis C Virus NS5A Inhibitors: The Question of Symmetry
M Ahmed, A Pal, M Houghton, K Barakat
ACS Infectious Diseases 2 (11), 872-881, 2016
92016
Structures of Cycloserine and 2-Oxazolidinone Probed by X-ray Photoelectron Spectroscopy: Theory and Experiment
M Ahmed, F Wang, RG Acres, KC Prince
The Journal of Physical Chemistry A 118 (20), 3645-3654, 2014
72014
Sitting above the maze: recent model discoveries in molecular science
F Wang, M Ahmed
Molecular Simulation 41 (1-3), 205-229, 2015
62015
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Articles 1–20