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Updated: Jun 16, 2025

Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules
Published on: July 25, 2013
WatFinder: a ProDy tool for protein-water interactions
James M Krieger1, Frane Doljanin2,3, Anthony T Bogetti4
1Biocomputing Unit, Department of Macromolecular Structure, National Center for Biotechnology (CNB-CSIC), Calle Darwin 3, Campus UAM Cantoblanco, 28049, Madrid, Spain.
Summary:
We introduce WatFinder, a tool designed to identify and visualize protein-water interactions (water bridges, water-mediated associations, or water channels, fluxes, and clusters) relevant to protein stability, dynamics, and function. WatFinder is integrated into ProDy, a Python API broadly used for structure-based prediction of protein dynamics. WatFinder provides a suite of functions for generating raw data as well as outputs from statistical analyses. The ProDy framework facilitates comprehensive automation and efficient analysis of the ensembles of structures resolved for a given protein or the time-evolved conformations from simulations in explicit water, as illustrated in five case studies presented in the Supplementary Material.
Availability And Implementation:
ProDy is open-source and freely available under MIT License from https://github.com/ProDy/ProDy.
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