ABS-Scan: In silico alanine scanning mutagenesis for binding site residues in protein-ligand complex.

ABSTRACT: Most physiological processes in living systems are fundamentally regulated by protein-ligand interactions. Understanding the process of ligand recognition by proteins is a vital activity in molecular biology and biochemistry. It is well known that the residues present at the binding site of the protein form pockets that provide a conducive environment for recognition of specific ligands. In many cases, the boundaries of these sites are not well defined. Here, we provide a web-server to systematically evaluate important residues in the binding site of the protein that contribute towards the ligand recognition through in silico alanine-scanning mutagenesis experiments. Each of the residues present at the binding site is computationally mutated to alanine. The ligand interaction energy is com

SUBMITTER: Anand P 

PROVIDER: S-EPMC4319546 | biostudies-literature | 2014

REPOSITORIES: biostudies-literature