Efficient flexible fitting refinement with automatic error fixing for de novo structure modeling from cryo-EM density maps
Takaharu Mori,1 Genki Terashi,2 Daisuke Matsuoka,1 Daisuke Kihara,2,3 and Yuji Sugita1,4,5
1 RIKEN Cluster for Pioneering Research, 2-1 Hirosawa, Wako-shi, Saitama 351-0198, Japan 2 Department of Biological Sciences, Purdue University, West Lafayette, IN 47907, USA 3 Department of Computer Science, Purdue University, West Lafayette, IN 47907, USA 4 RIKEN Center for Computational Science, 7-1-26 Minatojima-minamimachi, Chuo-ku, Kobe, Hyogo 650-0047, Japan 5 RIKEN Center for Biosystems Dynamics Research, 7-1-26 Minatojima-minamimachi, Chuo-ku, Kobe, Hyogo 650-0047, Japan
This repository contains
- Initial structures
- Reference native structures
- Cryo-EM density maps
- Sample control files of GENESIS and NAMD/MDFF
- Refined Top5 models