Ontology highlight
ABSTRACT:
SUBMITTER: Zhang Z
PROVIDER: S-EPMC4459952 | biostudies-literature | 2015
REPOSITORIES: biostudies-literature
Zhang Zhe Z Schindler Christina E M CE Lange Oliver F OF Zacharias Martin M
PloS one 20150608 6
The high-resolution refinement of docked protein-protein complexes can provide valuable structural and mechanistic insight into protein complex formation complementing experiment. Monte Carlo (MC) based approaches are frequently applied to sample putative interaction geometries of proteins including also possible conformational changes of the binding partners. In order to explore efficiency improvements of the MC sampling, several enhanced sampling techniques, including temperature or Hamiltonia ...[more]