FINDING THE LOWEST FREE-ENERGY CONFORMATION OF A PROTEIN IS AN NP-HARD PROBLEM - PROOF AND IMPLICATIONS
FINDING THE LOWEST FREE-ENERGY CONFORMATION OF A PROTEIN IS AN NP-HARD PROBLEM - PROOF AND IMPLICATIONS
复制标题
DOI：
10.1016/s0092-8240(05)80169-7
复制
发表时间：
1993-11-01
影响因子：
3.5
通讯作者：
MOULT, J
中科院分区：
文献类型：
--
作者：
UNGER, R;MOULT, J
讨论了蛋白质折叠问题以及np -完备性和np -硬度的概念。提出了一种晶格模型来捕捉蛋白质折叠的本质。对于这个模型，我们证明了寻找最低自由能构象属于np困难问题。讨论了证明的意义，我们认为自然折叠过程不能被认为是对全局自由能最小值的搜索。然而，我们提出了一种解释，为什么对于许多蛋白质，天然功能构象可能与最低自由能构象一致。
The protein folding problem and the notion of NP-completeness and NP-hardness are discussed. A lattice model is suggested to capture the essence of protein folding. For this model we present a proof that finding the lowest free energy conformation belongs to the class of NP-hard problems. The implications of the proof are discussed and we suggest that the natural folding process cannot be considered as a search for the global free energy minimum. However, we suggest an explanation as to why, for many proteins, the native functional conformation may coincide with the lowest free energy conformation.