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Molecular dynamics simulations reveal essential residues

Steered molecular dynamics simulations reveal important residues for (un)binding of substrates, inhibitors and a product to the malarial M1 aminopeptidase. Malaria is a life-threatening sickness unfold by mosquitoes. Plasmodium falciparum M1 alanyl aminopeptidase (PfM1-AAP) is a promising aim for the remedy of malaria. The simply recently solved crystal buildings of PfM1-AAP revealed that the buried full of life web …

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