PANEL

Protein AssociatioN Energy Landscape (PANEL)

 

PANEL scripts for download
(Last updated: 11/07/2019)

PANEL.tar.gz

PANEL_Instructions

Cite:

Rajagopal, N.; Nangia, S. Obtaining Protein Association Energy Landscape for Integral
Membrane Proteins. Journal of Chemical Theory and Computation 2019.
DOI:10.1021/acs.jctc.9b00626

 

Background

Protein AssociatioN Energy Landscape (PANEL) provides an extensive and converged data set for all possible conformations of integral membrane protein associations using a combination of stochastic sampling and equilibration simulations. The PANEL method samples the rotational space around each interacting proteins to obtain the comprehensive interaction energy landscape.

Dimerization of claudin-5 tight junction protein in phospholipid bilayer membrane