| Theory and Applications of Covalent Docking in Drug Discovery: Merits and Pitfalls H Khumalo, S Bhakat, ME Soliman Molecules 20, 1984-2000, 2015 | 168 | 2015 |
| An integrated molecular dynamics, principal component analysis and residue interaction network approach reveals the impact of M184V mutation on HIV reverse transcriptase … S Bhakat, AJM Martin, MES Soliman Molecular BioSystems 10 (8), 2215-2228, 2014 | 59 | 2014 |
| Monoamine oxidase inhibitory activity of 2-aryl-4H-chromen-4-ones BV Nayak, SC Yabanoglu, S Bhakat, AK Timiri, BN Sinha, G Ucar, ... Bioorganic Chemistry 58, 72-80, 2015 | 54 | 2015 |
| A perspective on targeting non-structural proteins to combat neglected tropical diseases: Dengue, West Nile and Chikungunya viruses S Bhakat, W Karubiu, V Jayaprakash, MES Soliman European journal of medicinal chemistry 87, 677-702, 2014 | 54 | 2014 |
| Investigation of Flap Flexibility of β-Secretase Using Molecular Dynamic Simulations HM Kumalo, S Bhakat, ME Soliman Journal of Biomolecular Structure and Dynamics, 2015 | 37 | 2015 |
| Chikungunya Virus (CHIKV) Inhibitors from Natural Sources: A Medicinal Chemistry Perspective S Bhakat, M Soliman Journal of Natural Medicines, 2015 | 35 | 2015 |
| Multi-drug Resistance Profile of PR20 HIV-1 Protease is attributed to Distorted Conformational and Drug Binding Landscape: Molecular Dynamics Insights S Bhakat, S Chetty, AJM Martin, MES Soliman Journal of Biomolecular Structure and Dynamics, 2015 | 35 | 2015 |
| Accelerating cryptic pocket discovery using AlphaFold A Meller, S Bhakat, S Solieva, GR Bowman Journal of Chemical Theory and Computation 19 (14), 4355-4363, 2023 | 34 | 2023 |
| Flap dynamics in aspartic proteases: A computational perspective M Mahanti, S Bhakat, UJ Nilsson, P Söderhjelm Chemical biology & drug design 88 (2), 159-177, 2016 | 30 | 2016 |
| Flap Dynamics of Plasmepsin Proteases: Proposed Parameters and Molecular Dynamics Insight W Karubiu, S Bhakat, L McGillewie, MES Soliman Molecular Biosystems 11, 1061-1066, 2015 | 29* | 2015 |
| Reaching beyond HIV/HCV: Nelfinavir as a potential starting point for broad-spectrum protease inhibitors against dengue and chikungunya virus S Bhakat, L Delang, S Kaptein, J Neyts, P Leyssen, V Jayaprakash RSC Advances, 2015 | 27 | 2015 |
| New paradigm of an old target: an update on structural biology and current progress in drug design towards Plasmepsin II N Dan, S Bhakat European Journal of Medicinal Chemistry 95, 324-348, 2015 | 26 | 2015 |
| Heat Shock Protein 90 (Hsp90) as Anti-cancer Target for Drug Discovery: An Ample Computational Perspective HM Kumalo, S Bhakat, MES Soliman Chemical Biology & Drug Design, 2015 | 24 | 2015 |
| Resolving the problem of trapped water in binding cavities: prediction of host–guest binding free energies in the SAMPL5 challenge by funnel metadynamics S Bhakat, P Söderhjelm Journal of Computer-Aided Molecular Design, 2016 | 22 | 2016 |
| Collective variable discovery in the age of machine learning: reality, hype and everything in between S Bhakat RSC advances 12 (38), 25010-25024, 2022 | 19 | 2022 |
| Compensatory role of double mutation N348I/M184V on nevirapine binding landscape: Insight from molecular dynamics simulation W Karubiu, S Bhakat, MES Soliman The protein journal 33, 432-446, 2014 | 19 | 2014 |
| Identification of binding mode and prospective structural features of novel Nef protein inhibitors as potential anti-HIV drugs S Moonsamy, S Bhakat, M Ramesh, MES Soliman Cell biochemistry and biophysics 75, 49-64, 2017 | 15 | 2017 |
| Insights on the structural perturbations in human MTHFR Ala222Val mutant by protein modeling and molecular dynamics PA Abhinanda, F Shaikh, S Bhakat, A Radadiya, LVKS Bhaskar, A Shah, ... Journal of Biomolecular Structure and Dynamics, 2015 | 15 | 2015 |
| Flap Dynamics in Pepsin-Like Aspartic Proteases: A Computational Perspective Using Plasmepsin-II and BACE-1 as Model Systems S Bhakat, P Söderhjelm Journal of Chemical Information and Modelling 62 (4), 914–926, 2022 | 14 | 2022 |
| Single Active Site Mutation Causes Serious Resistance of HIV Reverse Transcriptase to Lamivudine: Insight from Multiple Molecular Dynamics Simulations S Moonsamy, S Bhakat, R Walker, MES Soliman Cell Biochemistry and Biophysics, 2015 | 14 | 2015 |
Mahmoud SolimanProfessor, University of Kwazulu-NatalVerified email at ukzn.ac.za
