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1.
A PM7 dynamic residue-ligand interactions energy landscape of the BACE1 inhibitory pathway by hydroxyethylamine compounds. Part I: The flap closure process.
J Mol Graph Model
; 76: 274-288, 2017 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-28746905
2.
A molecular dynamics study of the BACE1 conformational change from Apo to closed form induced by hydroxyethylamine derived compounds.
J Mol Graph Model
; 70: 181-195, 2016 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-27750187
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