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Deciphering Isoniazid Drug Resistance Mechanisms on Dimeric Mycobacterium tuberculosis KatG via Post-molecular Dynamics Analyses Including Combined Dynamic Residue Network Metrics.
ACS Omega. 2022 Apr 7;7(15):13313-13332. doi: 10.1021/acsomega.2c01036. eCollection 2022 Apr 19.
ACS Omega. 2022.
PMID: 35474779
Free PMC article.
Allosteric pockets and dynamic residue network hubs of falcipain 2 in mutations including those linked to artemisinin resistance.
Okeke CJ, Musyoka TM, Sheik Amamuddy O, Barozi V, Tastan Bishop Ö.
Okeke CJ, et al. Among authors: barozi v.
Comput Struct Biotechnol J. 2021 Oct 8;19:5647-5666. doi: 10.1016/j.csbj.2021.10.011. eCollection 2021.
Comput Struct Biotechnol J. 2021.
PMID: 34745456
Free PMC article.
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Novel dynamic residue network analysis approaches to study allosteric modulation: SARS-CoV-2 Mpro and its evolutionary mutations as a case study.
Sheik Amamuddy O, Afriyie Boateng R, Barozi V, Wavinya Nyamai D, Tastan Bishop Ö.
Sheik Amamuddy O, et al. Among authors: barozi v.
Comput Struct Biotechnol J. 2021;19:6431-6455. doi: 10.1016/j.csbj.2021.11.016. Epub 2021 Nov 25.
Comput Struct Biotechnol J. 2021.
PMID: 34849191
Free PMC article.
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Allostery and Missense Mutations as Intermittently Linked Promising Aspects of Modern Computational Drug Discovery.
Tastan Bishop Ö, Musyoka TM, Barozi V.
Tastan Bishop Ö, et al. Among authors: barozi v.
J Mol Biol. 2022 Sep 15;434(17):167610. doi: 10.1016/j.jmb.2022.167610. Epub 2022 Apr 28.
J Mol Biol. 2022.
PMID: 35490897
Free article.
Review.
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Evolutionary progression of collective mutations in Omicron sub-lineages towards efficient RBD-hACE2: Allosteric communications between and within viral and human proteins.
Barozi V, Edkins AL, Tastan Bishop Ö.
Barozi V, et al.
Comput Struct Biotechnol J. 2022;20:4562-4578. doi: 10.1016/j.csbj.2022.08.015. Epub 2022 Aug 17.
Comput Struct Biotechnol J. 2022.
PMID: 35989699
Free PMC article.
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