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DOI: 10.1371/journal.pone.0146043
论文题名:
Cooperativity in Binding Processes: New Insights from Phenomenological Modeling
作者: Diego I. Cattoni; Osvaldo Chara; Sergio B. Kaufman; F. Luis González Flecha
刊名: PLOS ONE
ISSN: 1932-6203
出版年: 2015
发表日期: 2015-12-30
卷: 10, 期:12
语种: 英语
英文关键词: Macromolecules ; Isotherms ; Simulation and modeling ; Binding analysis ; Chemical equilibrium ; Free energy ; Hemoglobin ; Oxygen
英文摘要: Cooperative binding is one of the most interesting and not fully understood phenomena involved in control and regulation of biological processes. Here we analyze the simplest phenomenological model that can account for cooperativity (i.e. ligand binding to a macromolecule with two binding sites) by generating equilibrium binding isotherms from deterministically simulated binding time courses. We show that the Hill coefficients determined for cooperative binding, provide a good measure of the Gibbs free energy of interaction among binding sites, and that their values are independent of the free energy of association for empty sites. We also conclude that although negative cooperativity and different classes of binding sites cannot be distinguished at equilibrium, they can be kinetically differentiated. This feature highlights the usefulness of pre-equilibrium time-resolved strategies to explore binding models as a key complement of equilibrium experiments. Furthermore, our analysis shows that under conditions of strong negative cooperativity, the existence of some binding sites can be overlooked, and experiments at very high ligand concentrations can be a valuable tool to unmask such sites.
URL: http://journals.plos.org/plosone/article/file?id=10.1371/journal.pone.0146043&type=printable
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资源类型: 期刊论文
标识符: http://119.78.100.158/handle/2HF3EXSE/22106
Appears in Collections:过去全球变化的重建
影响、适应和脆弱性
科学计划与规划
气候变化与战略
全球变化的国际研究计划
气候减缓与适应
气候变化事实与影响

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作者单位: Laboratorio de Biofísica Molecular, Instituto de Química y Fisicoquímica Biológicas, Universidad de Buenos Aires – CONICET, Buenos Aires, Argentina;Centre de Biochimie Structurale, Université de Montpellier 1 and 2, Montpellier, France;Institute of Physics of Liquids and Biological Systems (IFLYSIB), University of La Plata - CONICET, La Plata, Argentina;Center for Information Services and High Performance Computing, Technische Universität Dresden, Dresden, Germany;Laboratorio de Biofísica Molecular, Instituto de Química y Fisicoquímica Biológicas, Universidad de Buenos Aires – CONICET, Buenos Aires, Argentina;Laboratorio de Biofísica Molecular, Instituto de Química y Fisicoquímica Biológicas, Universidad de Buenos Aires – CONICET, Buenos Aires, Argentina

Recommended Citation:
Diego I. Cattoni,Osvaldo Chara,Sergio B. Kaufman,et al. Cooperativity in Binding Processes: New Insights from Phenomenological Modeling[J]. PLOS ONE,2015-01-01,10(12)
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