Employing Molecular Dynamics Simulations to Explore the Behavior of Diphenylalanine Dipeptides in Graphene-Based Nanocomposite Systems

Utilizing all-atom molecular dynamics simulations, in the current study, we examine how three different graphene-based nanosheets (pristine graphene, graphene oxide and edge-functionalized graphene) impact the self-assembly mechanism of diphenylalanine dipeptides in aqueous solutions. By comparing t...

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Main Authors: Elena Markopoulou, Panagiotis Nikolakis, Gregory Savvakis, Anastassia N. Rissanou
Format: Artigo
Jezik:Inglês
Izdano: MDPI AG 2025-03-01
Serija:Inorganics
Teme:
diphenylalanine dipeptides
graphene-based nanosheets
molecular dynamics
nanostructures
self-assembly
Online dostop:https://www.mdpi.com/2304-6740/13/3/92
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