Ontology highlight
ABSTRACT:
SUBMITTER: Todoroff N
PROVIDER: S-EPMC4502991 | biostudies-literature | 2014 Sep
REPOSITORIES: biostudies-literature
Todoroff Nickolay N Kunze Jens J Schreuder Herman H Hessler Gerhard G Baringhaus Karl-Heinz KH Schneider Gisbert G
Molecular informatics 20140902 9
Quantifying the properties of macromolecules is a prerequisite for understanding their roles in biochemical processes. One of the less-explored geometric features of macromolecules is molecular surface irregularity, or 'roughness', which can be measured in terms of fractal dimension (<i>D</i>). In this study, we demonstrate that surface roughness correlates with ligand binding potential. We quantified the surface roughnesses of biological macromolecules in a large-scale survey that revealed <i>D ...[more]