Kinetics of CO2 diffusion in human carbonic anhydrase: a study using molecular dynamics simulations and the Markov-state model
Author:
Affiliation:
1. Key Laboratory of Industrial Biocatalysis
2. Ministry of Education
3. China
4. Department of Chemical Engineering
5. Tsinghua University
6. Department of Chemical and Environmental Engineering
7. University of California
8. Riverside
9. USA
Abstract
Molecular dynamics (MD) simulations, in combination with the Markov-state model (MSM), were applied to probe CO2 diffusion from an aqueous solution into the active site of human carbonic anhydrase II (hCA-II), an enzyme useful for enhanced CO2 capture and utilization.
Funder
National Natural Science Foundation of China
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP00887B
Reference63 articles.
1. Tethering of Nicotinamide Adenine Dinucleotide Inside Hollow Nanofibers for High-Yield Synthesis of Methanol from Carbon Dioxide Catalyzed by Coencapsulated Multienzymes
2. Peptide-Induced Affinity Binding of Carbonic Anhydrase to Carbon Nanotubes
3. Electropolymerized Carbonic Anhydrase Immobilization for Carbon Dioxide Capture
4. Bioinspired Silica Nanocomposite with Autoencapsulated Carbonic Anhydrase as a Robust Biocatalyst for CO2 Sequestration
5. Carbonic Anhydrase Promotes the Absorption Rate of CO2 in Post-Combustion Processes
Cited by 10 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. Dynamics of an inhibitor at and away from an out-of-active site binding location in human carbonic anhydrase II;Chemical Physics Impact;2023-12
2. Binding affinity and conformational change predictions for a series of inhibitors with RuBisCO in a carbon dioxide gas and water environment by multiple computational methods;Journal of Molecular Liquids;2023-04
3. Enzyme‐Polymer Conjugates for Tuning, Enhancing, and Expanding Biocatalytic Activity;ChemBioChem;2023-01-11
4. In the footsteps of an inhibitor unbinding from the active site of human carbonic anhydrase II;Journal of Biomolecular Structure and Dynamics;2022-03-08
5. 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
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线，采集、加工和组织学术论文而形成的新型学术文献查询和分析系统，可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容，当前同舟云学术共收录了国内外主流学术期刊6万余种，收集的期刊论文及会议论文总量共计约1.5亿篇，并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询！咨询电话：010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3