PROTEIN DOCKING ALGORITHMS - SIMULATING MOLECULAR RECOGNITION
PROTEIN DOCKING ALGORITHMS - SIMULATING MOLECULAR RECOGNITION
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DOI：
10.1016/s0959-440x(05)80162-9
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发表时间：
1993-04-01
影响因子：
6.8
通讯作者：
JANIN, J
中科院分区：
文献类型：
--
作者：
CHERFILS, J;JANIN, J
对接算法通过从其组成分子中重组复合物来模拟蛋白酶抑制剂或抗原抗体复合物等分子组装中的蛋白质-蛋白质结合。它们不仅可以有效地检索天然结构，而且还可以选择一些非天然结构，这些结构和物理化学特征被认为是天然配合物所特有的。其中一些“假阳性”可能值得在蛋白质-蛋白质识别的实验研究中进一步检查。
Docking algorithms simulate protein-protein association in molecular assemblies such as protease-inhibitor or antigen-antibody complexes by reconstituting the complexes from their component molecules. They not only efficiently retrieve native structures but also select a number of non-native structures with structural and physicochemical features that were assumed to be unique to the native complexes. Some of these 'false positives' may deserve further examination in experimental studies of protein-protein recognition.