New measures for estimating surface complementarity and packing at protein-protein interfaces.
A number of methods exist that use different approaches to assess geometric properties like the surface complementarity and atom packing at the protein-protein interface. We have developed two new and conceptually different measures using the Delaunay tessellation and interface slice selection to compute the surface complementarity and atom packing at the protein-protein interface in a straightforward manner. Our measures show a strong correlation among themselves and with other existing measures, and can be calculated in a highly time-efficient manner. The measures are discriminative for evaluating biological, as well as non-biological protein-protein contacts, especially from large protein complexes and large-scale structural studies (http://pallab.serc.iisc.ernet.in/nip_nsc).
Bioinformatics Centre, Indian Institute of Science, Bangalore, India.
Pralay
P
Mitra
Debnath
D
Pal
D000465:Algorithms; D001665:Binding Sites; D018360:Crystallography, X-Ray; D019281:Dimerization; D004526:Efficiency; D008958:Models, Molecular; D011485:Protein Binding; D011487:Protein Conformation; D017510:Protein Folding; D054730:Protein Interaction Domains and Motifs / Q000502:physiology; D025941:Protein Interaction Mapping / Q000379:methods*; D011506:Proteins / Q000737:chemistry / Q000378:metabolism; D013499:Surface Properties
D011506:Proteins