IScore: a novel graph kernel-based function for scoring protein-protein docking models.

ABSTRACT:

Motivation

Protein complexes play critical roles in many aspects of biological functions. Three-dimensional (3D) structures of protein complexes are critical for gaining insights into structural bases of interactions and their roles in the biomolecular pathways that orchestrate key cellular processes. Because of the expense and effort associated with experimental determinations of 3D protein complex structures, computational docking has evolved as a valuable tool to predict 3D structures of biomolecular complexes. Despite recent progress, reliably distinguishing near-native docking conformations from a large number of candidate conformations, the so-called scoring problem, remains a major challenge.

Results

Here we present iScore, a novel approach to scoring docked conformat

SUBMITTER: Geng C 

PROVIDER: S-EPMC6956772 | biostudies-literature | 2020 Jan

REPOSITORIES: biostudies-literature