RT Journal Article
SR Electronic
T1 DLA-Ranker: Evaluating protein docking conformations with many locally oriented cubes
JF bioRxiv
FD Cold Spring Harbor Laboratory
SP 2021.10.26.465898
DO 10.1101/2021.10.26.465898
A1 Yasser Mohseni Behbahani
A1 Élodie Laine
A1 Alessandra Carbone
YR 2021
UL http://biorxiv.org/content/early/2021/10/28/2021.10.26.465898.abstract
AB Proteins ensure their biological functions by interacting with each other, and with other molecules. Determining the relative position and orientation of protein partners in a complex remains challenging. Here, we address the problem of ranking candidate complex conformations toward identifying near-native conformations. We propose a deep learning approach relying on a local representation of the protein interface with an explicit account of its geometry. We show that the method is able to recognise certain pattern distributions in specific locations of the interface. We compare and combine it with a physics-based scoring function and a statistical pair potential.Competing Interest StatementThe authors have declared no competing interest.