Author: Amrita Roy; Liangzhong Lim; Shagun Srivastava; Jianxing Song
Title: Unique properties of Zika NS2B-NS3pro complexes as decoded by experiments and MD simulations Document date: 2016_9_28
ID: l82aakrk_45
Snippet: Amazingly, a short β-sheet characteristic of the closed conformation is formed only at 30 ns of simulations of Zika NS2B-NS3pro in the open conformation (Fig. 5) . Furthermore, the contact between Dengue NS2B Gln93-Leu95 and its NS3pro only existing in the "open" form is completely incompatible with the structure of the NS2B C-half in the "closed" conformation ( Fig. 6E ). As such, the loss of this contact in Zika NS2B-NS3pro in the open conform.....
Document: Amazingly, a short β-sheet characteristic of the closed conformation is formed only at 30 ns of simulations of Zika NS2B-NS3pro in the open conformation (Fig. 5) . Furthermore, the contact between Dengue NS2B Gln93-Leu95 and its NS3pro only existing in the "open" form is completely incompatible with the structure of the NS2B C-half in the "closed" conformation ( Fig. 6E ). As such, the loss of this contact in Zika NS2B-NS3pro in the open conformation implies that the energy barrier separating the "open" and "closed" forms of the Zika complex might be lower than that of the Dengue complex (Fig. 6G) . In other words, author/funder. All rights reserved. No reuse allowed without permission.
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