Computational modeling and druggability assessment of Aggregatibacter actinomycetemcomitans leukotoxin

Computer Methods and Programs in Biomedicine(2022)

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摘要
•LtxA of Aggregatibacter actinomycetemcomitans plays an important role in immune system evasion•The lack of a tertiary structure of LtxA limits its understanding at the molecular level•The elucidation of the structural model of LtxA could open new avenues for the discovery of novel leads to disrupt its activity
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关键词
Aggregatibacter,Leukotoxin,LtxA,Modeling,Molecular dynamics,Druggability
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