研究协同效应在分子识别中作用的粗粒晶格模型
Coarse-grained lattice model for investigating the role of cooperativity in molecular recognition
摘要：
刚性生物分子的分子识别的平衡方面的研究使用粗粒晶格模型。分析分两个阶段进行。首先，相对于靶生物分子设计探针分子的集合。通过计算缔合自由能，研究了探针系综的识别能力。研究了靶分子和探针分子缔合时协同效应和反协同效应的影响。数值结果和分析结果相比，可以得到的限制占主导地位的协同性和平均场制定的模型。
英文摘要：
Equilibrium aspects of molecular recognition of rigid biomolecules are investigated using coarse-grained lattice models. The analysis is carried out in two stages. First an ensemble of probe molecules is designed with respect to the target biomolecule. The recognition ability of the probe ensemble is then investigated by calculating the free energy of association. The influence of cooperative and anti-cooperative effects accompanying the association of the target and probe molecules is studied. Numerical findings are presented and compared to analytical results which can be obtained in the limit of dominating cooperativity and in the mean-field formulation of the models.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
