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Ensemble-based virtual screening of African natural products to target human thymidylate synthase.
J Mol Graph Model. 2023 Dec;125:108568. doi: 10.1016/j.jmgm.2023.108568. Epub 2023 Aug 9.
J Mol Graph Model. 2023.
PMID: 37591123
Targeting human thymidylate synthase: Ensemble-based virtual screening for drug repositioning and the role of water.
Mteremko D, Chilongola J, Paluch AS, Chacha M.
Mteremko D, et al.
J Mol Graph Model. 2023 Jan;118:108348. doi: 10.1016/j.jmgm.2022.108348. Epub 2022 Oct 1.
J Mol Graph Model. 2023.
PMID: 36257147
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Finding alternatives to 5-fluorouracil: application of ensemble-based virtual screening for drug repositioning against human thymidylate synthase.
Mteremko D, Shadrack DM, Ntie-Kang F, Chilongola J, Chacha M.
Mteremko D, et al.
J Biomol Struct Dyn. 2023 Jul;41(11):4873-4889. doi: 10.1080/07391102.2022.2074140. Epub 2022 May 10.
J Biomol Struct Dyn. 2023.
PMID: 35538714
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