Ontology highlight
ABSTRACT:
SUBMITTER: Edwards SJ
PROVIDER: S-EPMC4018176 | biostudies-literature | 2014 May
REPOSITORIES: biostudies-literature
The journal of physical chemistry. B 20140423 18
We report here specialized functions incorporated recently in the rigid-body docking software toolkit TagDock to utilize electron paramagnetic resonance derived (EPR-derived) interresidue distance measurements and spin-label accessibility data. The TagDock package extensions include a custom methanethiosulfonate spin label rotamer library to enable explicit, all-atom spin-label side-chain modeling and scripts to evaluate spin-label surface accessibility. These software enhancements enable us to ...[more]