Table 2 Prime energies and PIPER scores of the low RMSD models obtained for mouse TLR4-MD2-FN-EDA docked complexes.

From: Fibronectin containing alternatively spliced extra domain A interacts at the central and c-terminal domain of Toll-like receptor-4

Model Name

Model no

Prime energy (kcal/mol)

PIPER pose score (kcal/mol)

Mouse TLR4-MD2-FN-EDA

Model 1

 − 35,171.98

 − 732.792

Model 2

 − 35,182.51

 − 729.138

Model 4

 − 35,154.34

 − 714.977

  1. Prime Energy, Overall energy of the entire docked complex of TLR4-MD2-FN-EDA using Schrödinger Prime module; PIPER score, Pose score of the top scoring entry obtained for TLR4-MD2-FN-EDA docked complex from Schrödinger BioLuminate (performs protein–protein docking using PIPER program).
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