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Thommas M Musyoka
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SANCDB: a South African natural compound database
R Hatherley, DK Brown, TM Musyoka, DL Penkler, N Faya, KA Lobb, ...
Journal of cheminformatics 7, 1-9, 2015
1142015
Structure Based Docking and Molecular Dynamic Studies of Plasmodial Cysteine Proteases against a South African Natural Compound and its Analogs
TM Musyoka, AM Kanzi, KA Lobb, Ö Tastan Bishop
Scientific reports 6 (1), 23690, 2016
842016
Analysis of non-peptidic compounds as potential malarial inhibitors against Plasmodial cysteine proteases via integrated virtual screening workflow
TM Musyoka, AM Kanzi, KA Lobb, Ö Tastan Bishop
Journal of Biomolecular Structure and Dynamics 34 (10), 2084-2101, 2016
332016
JMS: an open source workflow management system and web-based cluster front-end for high performance computing
DK Brown, DL Penkler, TM Musyoka, ÖT Bishop
PLoS One 10 (8), e0134273, 2015
322015
SANCDB: an update on South African natural compounds and their readily available analogs
BN Diallo, M Glenister, TM Musyoka, K Lobb, Ö Tastan Bishop
Journal of Cheminformatics 13 (1), 37, 2021
312021
Evaluation of antiviral activity of Oligonol, an extract of Litchi chinensis, against betanodavirus
T Ichinose, TM Musyoka, K Watanabe, N Kobayashi
Drug discoveries & therapeutics 7 (6), 254-260, 2013
302013
Comparing sequence and structure of falcipains and human homologs at prodomain and catalytic active site for malarial peptide based inhibitor design
TM Musyoka, JN Njuguna, Ö Tastan Bishop
Malaria Journal 18, 1-21, 2019
202019
Anti-HIV-1 integrase potency of methylgallate from Alchornea cordifolia using in vitro and in silico approaches
X Siwe-Noundou, TM Musyoka, V Moses, DT Ndinteh, D Mnkandhla, ...
Scientific reports 9 (1), 4718, 2019
182019
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
132021
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
132020
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
112022
South African abietane diterpenoids and their analogs as potential antimalarials: novel insights from hybrid computational approaches
T Musyoka, ÖT Bishop
Molecules 24 (22), 4036, 2019
92019
Allostery and missense mutations as intermittently linked promising aspects of modern computational drug discovery
ÖT Bishop, TM Musyoka, V Barozi
Journal of Molecular Biology 434 (17), 167610, 2022
82022
Characterisation of plasmodial transketolases and identification of potential inhibitors: An in silico study
RA Boateng, Ö Tastan Bishop, TM Musyoka
Malaria journal 19, 1-19, 2020
82020
Computational applications in secondary metabolite discovery (CAiSMD): an online workshop
F Ntie-Kang, KK Telukunta, SAT Fobofou, V Chukwudi Osamor, ...
Journal of Cheminformatics 13 (1), 64, 2021
62021
The determination of CHARMM force field parameters for the Mg2+ containing HIV-1 integrase
T Musyoka, ÖT Bishop, K Lobb, V Moses
Chemical Physics Letters 711, 1-7, 2018
62018
SANCDB: a South African natural compound database. J Cheminform 7: 29
R Hatherley, DK Brown, TM Musyoka, DL Penkler, N Faya, KA Lobb, ...
62015
Force Field Parameters for Fe2+4S2−4 Clusters of Dihydropyrimidine Dehydrogenase, the 5-Fluorouracil Cancer Drug Deactivation Protein: A Step towards In …
MB Tendwa, L Chebon-Bore, K Lobb, TM Musyoka, Ö Tastan Bishop
Molecules 26 (10), 2929, 2021
22021
Integrating virtual screening, pharmacoinformatics profiling, and molecular dynamics: identification of promising inhibitors targeting 3CLpro of SARS-CoV-2
A Mohammad, A Zheoat, A Oraibi, A Manaithiya, K S. Almaary, ...
Frontiers in Molecular Biosciences 10, 1306179, 2024
12024
JMS: A workflow management system and web-based cluster front-end for the Torque resource manager
DK Brown, TM Musyoka, DL Penkler, ÖT Bishop
arXiv preprint arXiv:1501.06907, 2015
12015
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