Global minimum energy structures for(TiO2)n,n ≤ 384 [1],and(ZnO)n,n ≤ 168 [2],were determined theoretically by using a novel bottom-up evolutionary algorithm followed by a local geometry optimization
Deciphering the structural determinants of protein-protein interactions(PPIs)is essential to gain a deep understanding of many important biological functions in the living cells.
As a dangerous endpoint,respiratory toxicity can cause serious adverse health effects and even death.Meanwhile,it is a common and traditional issue in occupational and environmental protection.