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. 2007 Jun 15;3(6):e117. doi: 10.1371/journal.pcbi.0030117

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This is an open-access article distributed under the terms of the Creative Commons Public Domain declaration which stipulates that, once placed in the public domain, this work may be freely reproduced, distributed, transmitted, modified, built upon, or otherwise used by anyone for any lawful purpose.

This is an open-access article distributed under the terms of the Creative Commons Public Domain declaration, which stipulates that, once placed in the public domain, this work may be freely reproduced, distributed, transmitted, modified, built upon, or otherwise used by anyone for any lawful purpose.

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(A) z-Score of closeness for MD average wild-type DHFR structure (blue), averaged z-scores for the folding elements cutting group (pink), and averaged z-scores for the nonfolding elements cutting group (green).

(B) The changes of the z-scores of the two cutting groups compared with the z-score of closeness for the MD average wild-type DHFR structure.

(C) The differences of the z-scores of the folding element cutting group (a01, a02, a08, a08, and a10) and nonfolding element variants (b01, b04, b05, b08, and b09) averaged from 5-ns MD simulations and 10-ns simulations. The dynamics effects are in the functional loop regions.