OPTIMAL PROTEIN-FOLDING CODES FROM SPIN-GLASS THEORY
OPTIMAL PROTEIN-FOLDING CODES FROM SPIN-GLASS THEORY
复制标题
DOI：
10.1073/pnas.89.11.4918
复制
发表时间：
1992-06-01
影响因子：
11.1
通讯作者：
WOLYNES, PG
中科院分区：
文献类型：
--
作者：
GOLDSTEIN, RA;LUTHEYSCHULTEN, ZA;WOLYNES, PG
包含在序列依赖能量函数中的蛋白质折叠编码可以利用自旋玻璃理论进行优化。推导了基于对齐序列的联想记忆哈密顿算子的最优折叠编码。在绝大多数情况下，基于这些编码的筛选方法可以正确识别序列身份“模糊区域”中的蛋白质结构。对最优编码的哈密顿量进行模拟退火通常会得到质量正确的结构。
Protein-folding codes embodied in sequence-dependent energy functions can be optimized using spin-glass theory. Optimal folding codes for associative-memory Hamiltonians based on aligned sequences are deduced. A screening method based on these codes correctly recognizes protein structures in the "twilight zone" of sequence identity in the overwhelming majority of cases. Simulated annealing for the optimally encoded Hamiltonian generally leads to qualitatively correct structures.