WatCon: A Python Tool for Analysis of Conserved Water Networks Across Protein Families.

ABSTRACT: Water structure is crucially important to protein function and catalysis and can be conserved throughout related proteins despite differences in sequence. The complex hydrogen-bonding networks formed by water molecules and protein residues have been studied extensively, and graph-theory-based methods have frequently been used to describe these networks. Although there exist a number of tools which can be used to track water positions and networks, corresponding methods for easily analyzing complex water network structure across related proteins are limited. To address this challenge, we present here a new tool, WatCon, an open-source Python package which can be used to analyze water positions and water network structure across protein families using both dynamic and static structural infor

SUBMITTER: Brownless AR 

PROVIDER: S-EPMC12728608 | biostudies-literature | 2025 Dec

REPOSITORIES: biostudies-literature