VisGReMLIN: graph mining-based detection and visualization of conserved motifs at 3D protein-ligand interface at the atomic level.

ABSTRACT:

Background

Interactions between proteins and non-proteic small molecule ligands play important roles in the biological processes of living systems. Thus, the development of computational methods to support our understanding of the ligand-receptor recognition process is of fundamental importance since these methods are a major step towards ligand prediction, target identification, lead discovery, and more. This article presents visGReMLIN, a web server that couples a graph mining-based strategy to detect motifs at the protein-ligand interface with an interactive platform to visually explore and interpret these motifs in the context of protein-ligand interfaces.

Results

To illustrate the potential of visGReMLIN, we conducted two cases in which our strategy was compared with pr

SUBMITTER: Ribeiro VS 

PROVIDER: S-EPMC7068867 | biostudies-literature | 2020 Mar

REPOSITORIES: biostudies-literature