Figure 2
From: Biomining of MoS2 with Peptide-based Smart Biomaterials
Molecular modeling trajectories of equilibrium conformations and adsorption energies of the peptides on MoS2 surface. (A–F) Top view and side view of MoS2-P15, MoS2-P28 and MoS2-P3 binding peptides on MoS2 surface. Surface binding residues were labeled with residue names and numbers. Dotted circles indicate configurations of the amino acids yielding to the strongest specific peptide interactions with MoS2 surface. Water molecules on side view were depicted as line representation, while omitted from the on top view for visual clarity. Peptide−MoS2 Adsorption Energies (kcal/mol) of MoS2-P15, MoS2-P28 and MoS2-P3 are given in the table.
