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Steered molecular dynamics simulations reveal critical residues for (un)binding of substrates, inhibitors and a product to the malarial M1 aminopeptidase
Moore DS,
Brines C,
Jewhurst H,
Dalton JP,
Tikhonova IG
(2018)
Steered molecular dynamics simulations reveal critical residues for (un)binding of substrates, inhibitors and a product to the malarial M1 aminopeptidase.
PLOS Computational Biology 14(10): e1006525.
https://doi.org/10.1371/journal.pcbi.1006525