InDeep: 3D fully convolutional neural networks to assist in silico drug design on protein-protein interactions.

ABSTRACT:

Motivation

Protein-protein interactions (PPIs) are key elements in numerous biological pathways and the subject of a growing number of drug discovery projects including against infectious diseases. Designing drugs on PPI targets remains a difficult task and requires extensive efforts to qualify a given interaction as an eligible target. To this end, besides the evident need to determine the role of PPIs in disease-associated pathways and their experimental characterization as therapeutics targets, prediction of their capacity to be bound by other protein partners or modulated by future drugs is of primary importance.

Results

We present InDeep, a tool for predicting functional binding sites within proteins that could either host protein epitopes or future drugs. Leveraging de

SUBMITTER: Mallet V 

PROVIDER: S-EPMC8826379 | biostudies-literature | 2022 Feb

REPOSITORIES: biostudies-literature