Acquisition and use of calorimetric data for prediction of the thermodynamics of ligand-binding and folding reactions of proteins
Acquisition and use of calorimetric data for prediction of the thermodynamics of ligand-binding and folding reactions of proteins
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DOI：
10.1016/0958-1669(94)90046-9
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发表时间：
1994-01-01
影响因子：
7.7
通讯作者：
Connelly, Patrick R.
中科院分区：
文献类型：
--
作者：
Connelly, Patrick R.
高精度微量热计的商业化使蛋白质结合和折叠反应的量热数据的获取和利用急剧增加。这个热力学数据库，加上蛋白质及其与配体的络合物的高分辨率结构，促进了预测涉及大分子的过程的热力学的经验方法和计算方法的开发、校准、改进和测试。尽管如此，为蛋白质折叠和配体结合反应的各种能量贡献分配结构参数的普遍接受的方法，更不用说预测这些反应热力学参数的变化的方法，还没有牢固地建立起来。
The commercialization of high-precision microcalorimeters has led to a sharp increase in the acquisition and utilization of calorimetric data on the binding and folding reactions of proteins. This thermodynamic database, together with high-resolution structures of proteins and their complexes with ligands, has facilitated the development, calibration, refinement and testing of empirically based and computational methods for predicting the thermodynamics of processes involving macromolecules. Even so, a generally accepted method for assigning structural parameters to the various energetic contributions of protein folding and ligand-binding reactions, much less a method for predicting the changes in thermodynamic parameters of these reactions, has not yet been firmly established.