Correction to: Understanding the cooperative effects in the catalysis of homodimeric fluoroacetate dehalogenase (Science China Chemistry, (2024), 67, 7, (2382-2391), 10.1007/s11426-024-1999-1)

Ke Wei Chen, Jia Nan Chen, Jun Zhang, Chao Wang, Tian Yu Sun*, Yun Dong Wu*

*Corresponding author for this work

Research output: Contribution to journalComment/debate

Abstract

In the third line of the second paragraph of Section 2.1, “Gaff2” should be “GAFF2”. There is no space between “atomsto” in the first sentence of the last paragraph of Section 2.2. It should be “First, the initial structure underwent pre-equilibration by restraining Cα atoms to eliminate unreasonable interactions”. The unit of the last sentence of the first paragraph of Section 2.3 is wrong. It should be “Three independent simulations were run for each system, so 3 × 500 ns MD simulations at 350 K were performed”. The sixth line of the second paragraph of Section 3.1 should be “in the C subunit” instead of “on the C subunit”, and “on the C subunit” in the fifth paragraph of Section 3.4 should also be changed to “On the other hand, the probability of the water bridge between Y141 and S157 in the C subunit increases from 22.4% to 47.8%, resulting in the opening of Y141”.

Original languageEnglish
Pages (from-to)802
Number of pages1
JournalScience China Chemistry
Volume68
Issue number2
DOIs
Publication statusPublished - Feb 2025
Externally publishedYes

Bibliographical note

Publisher Copyright:
© Science China Press 2024.

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