Langmuir · 2015 · 62 citations · 41 references
Natural SciencesBiochemistryChemistryMolecular RecognitionNanomaterialsSurface ScienceIntermolecular ForcesNanoparticle SurfacesNanostructured SurfacesPeptide Bond ChemistryPeptide ChemistrySurface Functionalization Of NanomaterialsMolecular Simulation AnalysisNanoparticlesPeptide Bond StabilityPeptide InteractionsPeptide Self-assemblyPeptide StabilizationPeptide Structure AnalysisPeptide-modified Surfaces
We studied the interaction of four new pentapeptides with spherical silver nanoparticles. Our findings indicate that the combination of the thiol in Cys and amines in Lys/Arg residues is critical to providing stable protection for the silver surface. Molecular simulation reveals the atomic scale interactions that underlie the observed stabilizing effect of these peptides, while yielding qualitative agreement with experiment for ranking the affinity of the four pentapeptides for the silver surface.
41
VMD: Visual molecular dynamics
William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations
Scalable molecular dynamics with NAMD
J. C. Phillips, Rosemary Braun, Wei Wang et al. · Journal of Computational Chemistry · 2005 · 17.4K citations · Full text