TY - JOUR
T1 - Correction to
T2 - 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)
AU - Chen, Ke Wei
AU - Chen, Jia Nan
AU - Zhang, Jun
AU - Wang, Chao
AU - Sun, Tian Yu
AU - Wu, Yun Dong
N1 - Publisher Copyright:
© Science China Press 2024.
PY - 2025/2
Y1 - 2025/2
N2 - 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”.
AB - 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”.
UR - https://www.webofscience.com/wos/woscc/full-record/WOS:001337904800001
UR - https://www.scopus.com/pages/publications/105001060079
U2 - 10.1007/s11426-024-2206-3
DO - 10.1007/s11426-024-2206-3
M3 - Comment/debate
SN - 1674-7291
VL - 68
SP - 802
JO - Science China Chemistry
JF - Science China Chemistry
IS - 2
ER -