Nanoparticle decoration with surfactants: Molecular interactions, assembly, and applications
Nanostructures of diverse chemical nature are used as biomarkers, therapeutics, catalysts,
and structural reinforcements. The decoration with surfactants has a long history and is …
and structural reinforcements. The decoration with surfactants has a long history and is …
Interactions between metal oxides and biomolecules: from fundamental understanding to applications
MJ Limo, A Sola-Rabada, E Boix, V Thota… - Chemical …, 2018 - ACS Publications
Metallo-oxide (MO)-based bioinorganic nanocomposites promise unique structures,
physicochemical properties, and novel biochemical functionalities, and within the past …
physicochemical properties, and novel biochemical functionalities, and within the past …
Building two-dimensional materials one row at a time: Avoiding the nucleation barrier
Assembly of two-dimensional (2D) molecular arrays on surfaces produces a wide range of
architectural motifs exhibiting unique properties, but little attention has been given to the …
architectural motifs exhibiting unique properties, but little attention has been given to the …
Carbon nanotube dispersion in solvents and polymer solutions: mechanisms, assembly, and preferences
Debundling and dispersion of carbon nanotubes (CNTs) in polymer solutions play a major
role in the preparation of carbon nanofibers due to early effects on interfacial ordering and …
role in the preparation of carbon nanofibers due to early effects on interfacial ordering and …
An overview of molecular modeling for drug discovery with specific illustrative examples of applications
M Aminpour, C Montemagno, JA Tuszynski - Molecules, 2019 - mdpi.com
In this paper we review the current status of high-performance computing applications in the
general area of drug discovery. We provide an introduction to the methodologies applied at …
general area of drug discovery. We provide an introduction to the methodologies applied at …
Biointerface structural effects on the properties and applications of bioinspired peptide-based nanomaterials
Peptide sequences are known to recognize and bind different nanomaterial surfaces, which
has resulted in the screening and identification of hundreds of peptides with the ability to …
has resulted in the screening and identification of hundreds of peptides with the ability to …
cemff: A force field database for cementitious materials including validations, applications and opportunities
This paper reviews atomistic force field parameterizations for molecular simulations of
cementitious minerals, such as tricalcium silicate (C 3 S), portlandite (CH), tobermorites …
cementitious minerals, such as tricalcium silicate (C 3 S), portlandite (CH), tobermorites …
Modeling and simulation of protein–surface interactions: achievements and challenges
Understanding protein–inorganic surface interactions is central to the rational design of new
tools in biomaterial sciences, nanobiotechnology and nanomedicine. Although a significant …
tools in biomaterial sciences, nanobiotechnology and nanomedicine. Although a significant …
Accurate and compatible force fields for molecular oxygen, nitrogen, and hydrogen to simulate gases, electrolytes, and heterogeneous interfaces
Gas molecules and interfaces with liquids and solids play a critical role in living organisms,
sorption, catalysis, and the environment. Monitoring adsorption and heterogeneous …
sorption, catalysis, and the environment. Monitoring adsorption and heterogeneous …
Design, Fabrication, and Function of Silk‐Based Nanomaterials
Animal silks, consisting of pure protein components, offer an extraordinary combination of
strength, elongation, and toughness, exceeding most engineered materials. The secret to …
strength, elongation, and toughness, exceeding most engineered materials. The secret to …