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In silico investigation of falcipain-2 inhibition by hybrid benzimidazole-thiosemicarbazone antiplasmodial agents: A molecular docking, molecular dynamics simulation, and kinetics study.
Mol Divers. 2024 Apr;28(2):475-496. doi: 10.1007/s11030-022-10594-3. Epub 2023 Jan 9.
Mol Divers. 2024.
PMID: 36622482
Free PMC article.
Structural Properties and Reactive Site Selectivity of Some Transition Metal Complexes of 2,2'(1E,1'E)-(ethane-1,2-diylbis(azan-1-yl-1-ylidene))bis(phenylmethan-1-yl-1-ylidene)dibenzoic Acid: DFT, Conceptual DFT, QTAIM, and MEP Studies.
Bine FK, Nkungli NK, Numbonui TS, Numbonui Ghogomu J.
Bine FK, et al.
Bioinorg Chem Appl. 2018 Sep 26;2018:4510648. doi: 10.1155/2018/4510648. eCollection 2018.
Bioinorg Chem Appl. 2018.
PMID: 30416518
Free PMC article.
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