Computational protocol: Discovery of a polystyrene binding peptide isolated from phage display library and its application in peptide immobilization

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Protocol publication

[…] The initial structure of the peptide was built using ChemDraw, and then stimulated by molecular dynamics (MD) using Gromacs 5.0.2 at different pH. Root-mean-square-deviation (RMSD) plot was used to evaluate the time needed for this system to reach equilibrium. […]

Pipeline specifications

Software tools ChemDraw, GROMACS
Application Drug design
Organisms Homo sapiens
Chemicals Polystyrenes