ArticleInternational journal of molecular sciences2019
Multiscale Molecular Dynamics Simulation of Multiple Protein Adsorption on Gold Nanoparticles.
Article in International journal of molecular sciences, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 22 papers.
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Who cites it
22 citing papers in PubMed.
- Gold Nanocluster-Amino Acid Interactions: Assessment of DFTB with Dispersion Corrections.ACS omega · 2026Article
- In Silico Modeling of Nanoparticle Transport across the Blood-Brain Barrier: A Systematic Review.Computational and structural biotechnology journal · 2026Review
- Molecular dynamics insights into the interactions of biocompatible synthetic polymer composites with carbon-based nanoparticle derivatives: a comparative study of PLGA and PCL interactions with GO/rGO.Journal of computer-aided molecular design · 2025Article
- Transition-Metal-Oxide-Based Nanozymes for Antitumor Applications.Materials (Basel, Switzerland) · 2024Review
- Integrating Explicit and Implicit Fullerene Models into UNRES Force Field for Protein Interaction Studies.Molecules (Basel, Switzerland) · 2024Article
- Article
- Enzyme immobilization studied through molecular dynamic simulations.Frontiers in bioengineering and biotechnology · 2023Review
- Computer Simulation of the Interaction between SARS-CoV-2 Spike Protein and the Surface of Coinage Metals.Langmuir : the ACS journal of surfaces and colloids · 2022Article
- Assembling Biocompatible Polymers on Gold Nanoparticles: Toward a Rational Design of Particle Shape by Molecular Dynamics.ACS omega · 2022Article
- Functionalisation of Inorganic Material Surfaces with Staphylococcus Protein A: A Molecular Dynamics Study.International journal of molecular sciences · 2022Article
- Effect of dopamine-functionalization, charge and pH on protein corona formation around TiONanoscale · 2022Article
- Performance of nanoparticles for biomedical applications: TheBiophysics reviews · 2022Review
- Computational Insight on the Interaction of Common Blood Proteins with Gold Nanoparticles.International journal of molecular sciences · 2021Article
- Protein nanoparticles in drug delivery: animal protein, plant proteins and protein cages, albumin nanoparticles.Journal of nanobiotechnology · 2021Review
- Molecular Modeling of Protein Corona Formation and Its Interactions with Nanoparticles and Cell Membranes for Nanomedicine Applications.Pharmaceutics · 2021Review
- Biomolecular interactions of ultrasmall metallic nanoparticles and nanoclusters.Nanoscale advances · 2021Review
- Molecular Dynamics Simulations of a Catalytic Multivalent Peptide-Nanoparticle Complex.International journal of molecular sciences · 2021Article
- Gold Nanoparticles Augment N-Terminal Cleavage and Splicing Reactions inFrontiers in bioengineering and biotechnology · 2021Article
- Dispersion state phase diagram of citrate-coated metallic nanoparticles in saline solutions.Nature communications · 2020Article
- Engineering at the nano-bio interface: harnessing the protein corona towards nanoparticle design and function.The Analyst · 2020Review
Corrections and comments
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Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
A multiscale molecular dynamics simulation study has been carried out in order to provide in-depth information on the adsorption of hemoglobin, myoglobin, and trypsin over citrate-capped AuNPs of 15 nm diameter. In particular, determinants for single proteins adsorption and simultaneous adsorption of the three types of proteins considered have been studied by Coarse-Grained and Meso-Scale molecular simulations, respectively. The results, discussed in the light of the controversial experimental data reported in the current experimental literature, have provided a detailed description of the (i) recognition process, (ii) number of proteins involved in the early stages of corona formation, (iii) protein competition for AuNP adsorption, (iv) interaction modalities between AuNP and protein binding sites, and (v) protein structural preservation and alteration.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.