Molecular Dynamics Simulations of a Catalytic Multivalent Peptide–Nanoparticle Complex

Molecular Dynamics Simulations of a Catalytic Multivalent Peptide–Nanoparticle Complex

Molecular modeling of a supramolecular catalytic system is conducted resulting from the assembling between a small peptide and the surface of cationic self-assembled monolayers on gold nanoparticles, through a multiscale iterative approach including atomistic force field development, flexible dockin...

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Bibliographic Details
Main Authors: Sutapa Dutta, Stefano Corni, Giorgia Brancolini
Format: Article
Language:English
Published: MDPI AG 2021-03-01
Series:International Journal of Molecular Sciences
Subjects:
molecular dynamics
multiscale modeling
nanozymes
functionalized metal nanoparticles
peptide
Online Access:https://www.mdpi.com/1422-0067/22/7/3624

Internet

https://www.mdpi.com/1422-0067/22/7/3624

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