10.1371/journal.pone.0110085.g001
Ariel Erijman
Ariel
Erijman
Eran Rosenthal
Eran
Rosenthal
Julia M. Shifman
Julia
M. Shifman
Dependence of Kd on various single biophysical features.
Public Library of Science
2014
binding affinities
PPI binding affinities
Structure Defines Affinity
nmr
interaction
binding affinity
novel binding partners
2014-10-16 04:24:31
Figure
https://plos.figshare.com/articles/figure/_Dependence_of_Kd_on_various_single_biophysical_features_/1207521
<p>(A) Change in the accessible interface surface area (ASA); (B) ΔASA normalized to the total interface area; (C) percent of non-polar change in the accessible surface area; (D) the total number of interfacial H bonds, (E) the number of intermolecular interfacial H bonds, (F) the number of intra-molecular H bonds; (G) Van der Waals energy; (H) volume of cavities; (I) number of hotspots; (J) electrostatic columbic energy; (K) RMSD between bound and unbound structures for interface Cαs; (L) percentage of rotamers that do not change conformation upon binding. Each point represents one PDB file in the database and the line corresponds to a linear fit to all data points in the database.</p>