Apps¶

xBFreE is a comprehensive tool designed for calculating binding free energies. While it builds upon the foundation of gmx_MMPBSA and aims to expand its capabilities to other molecular dynamics (MD) programs, it also serves an additional purpose. The underlying concept of the xBFreE project is to offer the scientific community a robust tool that encompasses a wide range of commonly utilized binding free energy (BFE) methods. Our goal is to provide researchers with a powerful and versatile resource to facilitate their investigations in this field.

Similar to xBFreE, xBFreE-Analyzer is an extension of gmx_MMPBSA (specifically gmx_MMPBSA_ana). Serving as a robust graphical tool, xBFreE-Analyzer is designed to facilitate the analysis of results generated by xBFreE. Its powerful features enable researchers to effectively analyze and interpret the output obtained from xBFreE calculations.