DEMO-EM2: assembling protein complex structures from cryo-EM maps through intertwined chain and domain fitting

In this study, we extend our previously developed DEMO-EM to present DEMO-EM2, an automated method for constructing protein complex models from cryo-EM maps through an iterative assembly procedure intertwining chain- and domain-level matching and fitting for predicted chain models. The method was carefully evaluated on 27 cryo-electron tomography (cryo-ET) maps and 16 single-particle EM maps, where DEMO-EM2 models achieved an average TM-score of 0.92, outperforming those of state-of-the-art methods. The results demonstrate an efficient method that enables the rapid and reliable solution of challenging cryo-EM structure modeling problems.PMID:38517699 | PMC:PMC10959074 | DOI:10.1093/bib/bbae113

Source: Briefings in Bioinformatics - March 22, 2024 Category: Bioinformatics Authors: Ziying Zhang Yaxian Cai Biao Zhang Wei Zheng Lydia Freddolino Guijun Zhang Xiaogen Zhou Source Type: research