Protein AssociatioN Energy Landscape (PANEL)
PANEL scripts for download
(Last updated: 12/05/2019)
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