MD-TASK: a software suite for analyzing molecular dynamics trajectories DK Brown, DL Penkler, O Sheik Amamuddy, C Ross, AR Atilgan, ... Bioinformatics 33 (17), 2768-2771, 2017 | 149 | 2017 |
Integrated computational approaches and tools for allosteric drug discovery O Sheik Amamuddy, W Veldman, C Manyumwa, A Khairallah, ... International journal of molecular sciences 21 (3), 847, 2020 | 81 | 2020 |
Impact of Early Pandemic Stage Mutations on Molecular Dynamics of SARS-CoV-2 Mpro O Sheik Amamuddy, GM Verkhivker, O Tastan Bishop Journal of chemical information and modeling 60 (10), 5080-5102, 2020 | 76 | 2020 |
MODE-TASK: large-scale protein motion tools C Ross, B Nizami, M Glenister, O Sheik Amamuddy, AR Atilgan, C Atilgan, ... Bioinformatics 34 (21), 3759-3763, 2018 | 42 | 2018 |
Structure-based analysis of single nucleotide variants in the renin-angiotensinogen complex DK Brown, OS Amamuddy, ÖT Bishop Global Heart 12 (2), 121-132, 2017 | 35 | 2017 |
Improving fold resistance prediction of HIV-1 against protease and reverse transcriptase inhibitors using artificial neural networks O Sheik Amamuddy, NT Bishop, Ö Tastan Bishop BMC bioinformatics 18, 1-7, 2017 | 30 | 2017 |
Characterizing early drug resistance-related events using geometric ensembles from HIV protease dynamics O Sheik Amamuddy, NT Bishop, Ö Tastan Bishop Scientific Reports 8 (1), 17938, 2018 | 26 | 2018 |
MDM-TASK-web: MD-TASK and MODE-TASK web server for analyzing protein dynamics OS Amamuddy, M Glenister, T Tshabalala, ÖT Bishop Computational and Structural Biotechnology Journal 19, 5059-5071, 2021 | 25* | 2021 |
Polyphenols epigallocatechin gallate and resveratrol, and polyphenol-functionalized nanoparticles prevent enterovirus infection through clustering and stabilization of the viruses D Reshamwala, S Shroff, O Sheik Amamuddy, V Laquintana, N Denora, ... Pharmaceutics 13 (8), 1182, 2021 | 17 | 2021 |
Novel dynamic residue network analysis approaches to study allosteric modulation: SARS-CoV-2 Mpro and its evolutionary mutations as a case study OS Amamuddy, RA Boateng, V Barozi, DW Nyamai, ÖT Bishop Computational and Structural Biotechnology Journal 19, 6431-6455, 2021 | 14 | 2021 |
Allosteric pockets and dynamic residue network hubs of falcipain 2 in mutations including those linked to artemisinin resistance CJ Okeke, TM Musyoka, OS Amamuddy, V Barozi, ÖT Bishop Computational and Structural Biotechnology Journal 19, 5647-5666, 2021 | 13 | 2021 |
Determining the unbinding events and conserved motions associated with the pyrazinamide release due to resistance mutations of Mycobacterium tuberculosis pyrazinamidase OS Amamuddy, TM Musyoka, RA Boateng, S Zabo, ÖT Bishop Computational and Structural Biotechnology Journal 18, 1103-1120, 2020 | 13 | 2020 |
Deciphering Isoniazid Drug Resistance Mechanisms on Dimeric Mycobacterium tuberculosis KatG via Post-molecular Dynamics Analyses Including Combined … V Barozi, TM Musyoka, O Sheik Amamuddy, O Tastan Bishop ACS omega 7 (15), 13313-13332, 2022 | 10 | 2022 |
Antiviral Mechanisms of N-Phenyl Benzamides on Coxsackie Virus A9 M Laajala, K Kalander, S Consalvi, OS Amamuddy, ÖT Bishop, M Biava, ... Pharmaceutics 15 (3), 1028, 2023 | 3 | 2023 |
Polyphenols epigallocatechin gallate and resveratrol, and polyphenol-functionalized nanoparticles prevent enterovirus infection. Pharmaceutics. 2021; 13 (8): 1182 D Reshamwala, S Shroff, O Sheik Amamuddy, V Laquintana, N Denora, ... s Note: MDPI stays neutral with regard to jurisdictional claims in published …, 2021 | 3 | 2021 |
Slipknot or Crystallographic Error: A Computational Analysis of the Plasmodium falciparum DHFR Structural Folds RB Tata, AF Alsulami, O Sheik Amamuddy, TL Blundell, Ö Tastan Bishop International Journal of Molecular Sciences 23 (3), 1514, 2022 | 2 | 2022 |
Repurposing DrugBank compounds as potential Plasmodium falciparum class 1a aminoacyl tRNA synthetase multi-stage pan-inhibitors with a specific focus on mitomycin F Olotu, MBT Tali, C Chepsiror, OS Amamuddy, FF Boyom, ÖT Bishop International Journal for Parasitology: Drugs and Drug Resistance 25, 100548, 2024 | | 2024 |
Impact of emerging mutations on the dynamic properties the SARS-CoV-2 main protease: an in silico investigation (preprint) OS Amamuddy, GM Verkhivker, OT Bishop | | 2020 |
Computational analysis of missense mutations from the human Macrophage Migration Inhibitory Factor (MIF) protein by Molecular Dynamics Simulations and Dynamic Residue Network … PM Kimuda, DK Brown, OS Amamuddy, C Ross, E Matovu, ÖT Bishop Open Res Africa 2 (59), 59, 2019 | | 2019 |
Characterizing drug resistance using geometric ensembles from HIV protease dynamics OS Amamuddy, NT Bishop, ÖT Bishop bioRxiv, 379958, 2018 | | 2018 |