IScore: An MPI supported software for ranking protein-protein docking models based on a random walk graph kernel and support vector machines.

ABSTRACT: Computational docking is a promising tool to model three-dimensional (3D) structures of protein-protein complexes, which provides fundamental insights of protein functions in the cellular life. Singling out near-native models from the huge pool of generated docking models (referred to as the scoring problem) remains as a major challenge in computational docking. We recently published iScore, a novel graph kernel based scoring function. iScore ranks docking models based on their interface graph similarities to the training interface graph set. iScore uses a support vector machine approach with random-walk graph kernels to classify and rank protein-protein interfaces. Here, we present the software for iScore. The software provides executable scripts that fully automate the computational work

SUBMITTER: Renaud N 

PROVIDER: S-EPMC9005067 | biostudies-literature | 2020 Jan-Jun

REPOSITORIES: biostudies-literature