Detachment of HCO3– from the Active Site of Carbonic Anhydrase: Molecular Dynamics Simulation and Machine Learning-Reference-Cited by-同舟云学术

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Detachment of HCO3– from the Active Site of Carbonic Anhydrase: Molecular Dynamics Simulation and Machine Learning

Published:2018-08-13 Issue:35 Volume:122 Page:20539-20549
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Chen Gong¹^ORCID,Lu Diannan¹,Wu Jianzhong²^ORCID,Liu Zheng¹^ORCID

Affiliation:

1. Key Lab of Industrial Biocatalysis, Ministry of Education, China, Department of Chemical Engineering, Tsinghua University, Beijing 100084, China

2. Department of Chemical and Environmental Engineering, University of California, Riverside, California 92521, United States

Funder

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.8b05298

Reference63 articles.

1. The mechanism of rate-limiting motions in enzyme function

2. How ABA block polymers activate cytochrome c in toluene: molecular dynamics simulation and experimental observation

3. Carbonic Anhydrase as a Model for Biophysical and Physical-Organic Studies of Proteins and Protein−Ligand Binding

4. Tethering of Nicotinamide Adenine Dinucleotide Inside Hollow Nanofibers for High-Yield Synthesis of Methanol from Carbon Dioxide Catalyzed by Coencapsulated Multienzymes

5. Peptide-Induced Affinity Binding of Carbonic Anhydrase to Carbon Nanotubes

Cited by 4 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Comparative Study of Stability and Activity of Wild-Type and Mutant Human Carbonic Anhydrase II Enzymes Using Molecular Dynamics and Docking Simulations;2024-03-13

2. Assessment of Enzyme Functionality at Metal–Organic Framework Interfaces Developed through Molecular Simulations;Langmuir;2023-01-24

3. Conformational Change of H64 and Substrate Transportation: Insight Into a Full Picture of Enzymatic Hydration of CO2 by Carbonic Anhydrase;Frontiers in Chemistry;2021-07-09

4. Coordination Dynamics of Zinc Triggers the Rate Determining Proton Transfer in Human Carbonic Anhydrase II;ChemPhysChem;2020-06-02

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