Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
SB-3CT ring opening approximate transition states from RPATH/restraint calculations: yellow: calculation with 20 replicas using mass-weighted RMSD, green: calculation with 39 replicas using mass-weighted RMSD, blue: calculation with 20 replicas using mass-weighted RMSD with additional weighting factors, red: calculation with 39 replicas using mass-weighted RMSD with additional weighting factors, gray: the TS obtained from ONIOM calculation in the previous study. 76
