Journal
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
Volume 12, Issue 2, Pages 1316-1333Publisher
MDPI
DOI: 10.3390/ijms12021316
Keywords
macromolecular docking; flexibility; protein loops and domains
Ask authors/readers for more resources
Rapid progress of theoretical methods and computer calculation resources has turned in silico methods into a conceivable tool to predict the 3D structure of macromolecular assemblages, starting from the structure of their separate elements. Still, some classes of complexes represent a real challenge for macromolecular docking methods. In these complexes, protein parts like loops or domains undergo large amplitude deformations upon association, thus remodeling the surface accessible to the partner protein or DNA. We discuss the problems linked with managing such rearrangements in docking methods and we review strategies that are presently being explored, as well as their limitations and success.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available