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A Comprehensive Mathematical Model for Three-Body Binding Equilibria

机译:三体约束平衡的综合数学模型

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摘要

Three-component systems are often more complex than their two-component counterparts. Although the reversible association of three components in solution is critical for a vast array of chemical and biological processes, no general physical picture of such systems has emerged. Here we have developed a general, comprehensive framework for understanding ternary complex equilibria, which relates directly to familiar concepts such as “EC50” and “IC50” from simpler (binary complex) equilibria. Importantly, application of our model to data from the published literature has enabled us to achieve new insights into complex systems ranging from coagulation to therapeutic dosing regimens for monoclonal antibodies. We also provide an Excel spreadsheet to assist readers in both conceptualizing and applying our models. Overall, our analysis has the potential to render complex three-component systems – which have previously been characterized as “analytically intractable” – readily comprehensible to theoreticians and experimentalists alike.
机译:三成分系统通常比两成分系统更为复杂。尽管溶液中三个成分的可逆结合对于大量化学和生物过程至关重要,但尚未出现此类系统的一般物理图景。在这里,我们开发了一个用于理解三元复杂平衡的通用综合框架,该框架直接与较简单的(二进制复杂)平衡中的“ EC50”和“ IC50”等熟悉的概念相关。重要的是,将我们的模型应用于已发表文献的数据使我们能够获得对复杂系统的新见解,从凝结到单克隆抗体的治疗剂量方案,不一而足。我们还提供Excel电子表格,以帮助读者概念化和应用我们的模型。总体而言,我们的分析有可能使复杂的三部分系统(以前曾被称为“分析上难以解决”的特征)易于为理论家和实验家所理解。

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