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Biointerphases

Journal for Biophysical Chemistry

Fig. 5 | Biointerphases

Fig. 5

From: Comparison Between Empirical Protein Force Fields for the Simulation of the Adsorption Behavior of Structured LK Peptides on Functionalized Surfaces

Fig. 5

Secondary structure for each amino acid residue through the entire REMD simulation for the LKβ7 pair of peptides adsorbed to the CH3-SAM using a the CHARMM22 FF, b the AMBER94 FF, c the OPLS-AA FF, and Ramachandran plots of the relative free energy of different conformations obtained from the final 6 ns of REMD sampling for the LKβ7 pair of peptides adsorbed to the CH3-SAM using d the CHARMM22 FF, e the AMBER94 FF, and f the OPLS-AA FF

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