Fig. 1 | Scientific Reports

Fig. 1

From: Graphene and its modifications for enhanced adhesion in dental restoratives: a molecular docking and dynamics study

Fig. 1

Molecular docking results overview. (A) Relationship between HADDOCK score and Root Mean Square Deviation (RMSD). (B) Correlation between HADDOCK score and binding affinity, showing a strong Pearson correlation coefficient (r = 0.934). (C) Optimal monomer-graphene combinations for each monomer type, highlighting the lowest binding energy values indicative of superior adhesion strength. (D) Correlation matrix depicting the relationship between binding energy (kcal/mol) and individual energy components.

Back to article page