Bridging the Gap in Malaria Parasite Resistance, Current Interventions, and the Way Forward from in Silico Perspective: A Review
Kumi, Ransford Oduro, Oti, Belinda, Abo-Dya, Nader E, Alahmdi, Mohamed Issa, Soliman, Mahmoud E S
Published in Molecules (Basel, Switzerland) (16.11.2022)
Published in Molecules (Basel, Switzerland) (16.11.2022)
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Journal Article
The Unusual Architecture of RNA-Dependent RNA Polymerase (RdRp)'s Catalytic Chamber Provides a Potential Strategy for Combination Therapy against COVID-19
Metwally, Kamel, Abo-Dya, Nader E, Alahmdi, Mohammed Issa, Albalawi, Maha Z, Yahya, Galal, Aljoundi, Aimen, Salifu, Elliasu Y, Elamin, Ghazi, Ibrahim, Mahmoud A A, Sayed, Yasien, Fanucchi, Sylvia, Soliman, Mahmoud E S
Published in Molecules (Basel, Switzerland) (01.03.2023)
Published in Molecules (Basel, Switzerland) (01.03.2023)
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Journal Article
A Mechanistic Probe into the Dual Inhibition of T. cruzi Glucokinase and Hexokinase in Chagas Disease Treatment – A Stone Killing Two Birds?
Omolabi, Kehinde F., Odeniran, Paul O., Olotu, Fisayo A., S. Soliman, Mahmoud E.
Published in Chemistry & biodiversity (01.02.2021)
Published in Chemistry & biodiversity (01.02.2021)
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Journal Article
Artificial Intelligence, Machine Learning, and Big Data for Ebola Virus Drug Discovery
Kwofie, Samuel K, Adams, Joseph, Broni, Emmanuel, Enninful, Kweku S, Agoni, Clement, Soliman, Mahmoud E S, Wilson, Michael D
Published in Pharmaceuticals (Basel, Switzerland) (21.02.2023)
Published in Pharmaceuticals (Basel, Switzerland) (21.02.2023)
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Journal Article
Pharmacophore-Based 3D-QSAR Analysis of Thienyl Chalcones as a New Class of Human MAO‑B Inhibitors: Investigation of Combined Quantum Chemical and Molecular Dynamics Approach
Mathew, Bijo, Adeniyi, Adebayo A, Dev, Sanal, Joy, Monu, Ucar, Gülberk, Mathew, Githa Elizabeth, Singh-Pillay, Ashona, Soliman, Mahmoud E. S
Published in The journal of physical chemistry. B (16.02.2017)
Published in The journal of physical chemistry. B (16.02.2017)
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Journal Article
An integrated molecular dynamics, principal component analysis and residue interaction network approach reveals the impact of M184V mutation on HIV reverse transcriptase resistance to lamivudine
Bhakat, Soumendranath, Martin, Alberto J M, Soliman, Mahmoud E S
Published in Molecular bioSystems (01.01.2014)
Published in Molecular bioSystems (01.01.2014)
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Journal Article
Theory and applications of covalent docking in drug discovery: merits and pitfalls
Kumalo, Hezekiel Mathambo, Bhakat, Soumendranath, Soliman, Mahmoud E S
Published in Molecules (27.01.2015)
Published in Molecules (27.01.2015)
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Journal Article
Book Review
Alcohol Metabolic Inefficiency: Structural Characterization of Polymorphism-Induced ALDH2 Dysfunctionality and Allosteric Site Identification for Design of Potential Wildtype Reactivators
Adeniji, Emmanuel A., Olotu, Fisayo A., Soliman, Mahmoud E. S.
Published in The Protein Journal (01.06.2018)
Published in The Protein Journal (01.06.2018)
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Journal Article
Across the blood-brain barrier: Neurotherapeutic screening and characterization of naringenin as a novel CRMP-2 inhibitor in the treatment of Alzheimer's disease using bioinformatics and computational tools
Lawal, Maryam, Olotu, Fisayo A., Soliman, Mahmoud E.S.
Published in Computers in biology and medicine (01.07.2018)
Published in Computers in biology and medicine (01.07.2018)
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Journal Article
Conjugated Dienones from Differently Substituted Cinnamaldehyde as Highly Potent Monoamine Oxidase‑B Inhibitors: Synthesis, Biochemistry, and Computational Chemistry
Mathew, Bijo, Oh, Jong Min, Abdelgawad, Mohamed A, Khames, Ahmed, Ghoneim, Mohammed M, Kumar, Sunil, Nath, Lekshmi R, Sudevan, Sachithra Thazhathuveedu, Parambi, Della Grace Thomas, Agoni, Clement, Soliman, Mahmoud E. S, Kim, Hoon
Published in ACS omega (08.03.2022)
Published in ACS omega (08.03.2022)
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Journal Article
Road Map for the Structure-Based Design of Selective Covalent HCV NS3/4A Protease Inhibitors
Shunmugam, Letitia, Ramharack, Pritika, Soliman, Mahmoud E. S.
Published in The Protein Journal (01.10.2017)
Published in The Protein Journal (01.10.2017)
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Journal Article
Unveiling therapeutic frontiers: DON/DRP-104 as innovative Plasma kallikrein inhibitors against carcinoma-associated hereditary angioedema shocks - a comprehensive molecular dynamics exploration
Oduro-Kwateng, Ernest, Soliman, Mahmoud E. S.
Published in Cell biochemistry and biophysics (01.06.2024)
Published in Cell biochemistry and biophysics (01.06.2024)
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Journal Article
On the Potentiality of X‑T‑X3 Compounds (T = C, Si, and Ge, and X = F, Cl, and Br) as Tetrel- and Halogen-Bond Donors
Ibrahim, Mahmoud A. A, Moussa, Nayra A. M, Soliman, Mahmoud E. S, Moustafa, Mahmoud F, Al-Fahemi, Jabir H, El-Mageed, H. R. Abd
Published in ACS omega (27.07.2021)
Published in ACS omega (27.07.2021)
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Journal Article
Type I-IV Halogen⋯Halogen Interactions: A Comparative Theoretical Study in Halobenzene⋯Halobenzene Homodimers
Ibrahim, Mahmoud A A, Saeed, Rehab R A, Shehata, Mohammed N I, Ahmed, Muhammad Naeem, Shawky, Ahmed M, Khowdiary, Manal M, Elkaeed, Eslam B, Soliman, Mahmoud E S, Moussa, Nayra A M
Published in International journal of molecular sciences (14.03.2022)
Published in International journal of molecular sciences (14.03.2022)
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Journal Article
Effect of External Electric Field on Tetrel Bonding Interactions in (FTF3···FH) Complexes (T = C, Si, Ge, and Sn)
Ibrahim, Mahmoud A. A, Kamel, Afnan A. K, Soliman, Mahmoud E. S, Moustafa, Mahmoud F, El-Mageed, H. R. Abd, Taha, Fouad, Mohamed, Lamiaa A, Moussa, Nayra A. M
Published in ACS omega (05.10.2021)
Published in ACS omega (05.10.2021)
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Journal Article
Mechanism of Inhibition of Hsp90 Dimerization by Gyrase B Inhibitor Coumermycin A1 (C–A1) Revealed by Molecular Dynamics Simulations and Thermodynamic Calculations
Cele, Favourite N., Kumalo, Hezekiel, Soliman, Mahmoud E. S.
Published in Cell biochemistry and biophysics (01.09.2016)
Published in Cell biochemistry and biophysics (01.09.2016)
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