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Examples

Here you can find a representation of almost all the types of calculations and analyses that you can perform with xBFreE. Although each example focuses on specific cases, you can use xBFreE on systems that combine a number of different components (i.e. metalloprotein-ligand complex, Protein-DNA-ligand, etc.). In addition, several types of calculations (e.g. GB, Alanine scanning and Per-residue decomposition; PB, Interaction Entropy, and Per-wise decomposition) can be also performed in the same run for a specific system.

Systems

This is a representation of the systems that can be processed and analyzed with xBFreE. Our program has a robust method to process input structures. Even if your system is not represented here, still have a go, you won't be disappointed! 😀

Analysis

This section focuses on the analysis that can be performed with xBFreE. Although each example focuses on specific cases, you can use xBFreE to perform several types of calculations (e.g. GB, Alanine scanning and Per-residue decomposition; PB, Interaction Entropy, and Per-residue decomposition) in the same run for a specific system.


  1. It is part of the All set defined with -t 0 in xBFreE-Tester 

  2. It is part of the Minimal set defined with -t 1 in xBFreE-Tester 

  3. It is part of the Fast set defined with -t 2 in xBFreE-Tester 


2023-11-14 2023-05-27