Dynamics and self-assembly of bio-functionalized gold nanoparticles in solution: Reactive molecular dynamics simulations
The self-assembling properties, stability, and dynamics of hybrid nanocarriers (gold
nanoparticles (AuNPs) functionalized with cysteine-based peptides) in solution are studied …
nanoparticles (AuNPs) functionalized with cysteine-based peptides) in solution are studied …
Decoration of gold nanoparticles with cysteine in solution: reactive molecular dynamics simulations
The dynamics of gold nanoparticle functionalization by means of adsorption of cysteine
molecules in water solution is simulated through classical reactive molecular dynamics …
molecules in water solution is simulated through classical reactive molecular dynamics …
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 …
assembling between a small peptide and the surface of cationic self-assembled monolayers …
Molecular linker-mediated self-assembly of gold nanoparticles: understanding and controlling the dynamics
A Abbas, R Kattumenu, L Tian, S Singamaneni - Langmuir, 2013 - ACS Publications
This study sheds light on the mechanism and dynamics of self-assembly of gold
nanoparticles (AuNPs) using molecular linkers such as aminothiols. An experimental model …
nanoparticles (AuNPs) using molecular linkers such as aminothiols. An experimental model …
Effect of surface coverage and chemistry on self-assembly of monolayer protected gold nanoparticles: a molecular dynamics simulation study
Gold nanoparticles (AuNP) are being used in a variety of applications ranging from drug
delivery systems to nano-coolants. The structure and surface properties of AuNP can be …
delivery systems to nano-coolants. The structure and surface properties of AuNP can be …
Small molecule induced self-assembly of Au nanoparticles
Interest in one dimensional assemblies of metallic nanomaterials, particularly Au
nanoparticles (NPs), has grown due to the optical properties and various applications of NPs …
nanoparticles (NPs), has grown due to the optical properties and various applications of NPs …
ReaxFF MD simulations of peptide-grafted gold nanoparticles
Functionalized gold nanoparticles have critical applications in biodetection with surface-
enhanced Raman spectrum and drug delivery. In this study, reactive force field molecular …
enhanced Raman spectrum and drug delivery. In this study, reactive force field molecular …
Domain formation and conformational changes in gold nanoparticle conjugates studied using DPD simulations
A gold nanoparticle (AuNP) conjugate formed with 11-mercaptoundecanoic acid (MUA) and
thiolated polyethylene glycol (SH-PEG) is simulated using dissipative particle dynamics …
thiolated polyethylene glycol (SH-PEG) is simulated using dissipative particle dynamics …
Preparation, structure, and a coarse-grained molecular dynamics model for dodecanethiol-stabilized gold nanoparticles
A Kyrychenko, GV Karpushina, SI Bogatyrenko… - Computational and …, 2011 - Elsevier
Thiol-stabilized metal nanoparticles possess unique properties in the comparison with larger-
scale materials, which enable their use in many promising chemical and biological …
scale materials, which enable their use in many promising chemical and biological …
pH-controlled reversible assembly of peptide-functionalized gold nanoparticles
The assembly/disassembly process of carboxylated peptide-functionalized gold
nanoparticles (peptide-GNPs) was studied within the pH interval of 2.5 to 10. The assembly …
nanoparticles (peptide-GNPs) was studied within the pH interval of 2.5 to 10. The assembly …