Investigation of the conductive properties of composite polymer materials based on polyvinyl alcohol doped with single- and double-walled carbon nanotubes [PDF]
Modern Electronic MaterialsThe development of nanotechnology requires more advanced computer modeling methods to study the properties of nanoparticles and clusters. These particles are the main “building material” in nanotechnology, determining the unique properties of the created
Lusine S. Elbakyan +1 more
doaj +3 more sources
In situ upgrade of quantum simulators to universal computers [PDF]
, 2018 Quantum simulators, machines that can replicate the dynamics of quantum systems, are being built as useful devices and are seen as a stepping stone to universal quantum computers.
Benjamin Dive +7 more
core +1 more source
Investigation of the process of polymer stabilization of mixed iron oxide with amylopectin
Физико-химические аспекты изучения кластеров, наноструктур и наноматериаловIn this work, samples of mixed nanoscale iron oxide stabilized with amylopectin were obtained by chemical precipitation in an aqueous medium. This compound has a wide range of applications in biomedical technologies, energy storage and conversion ...
A.A. Nagdalian +5 more
doaj +1 more source
Computer quantum-chemical simulation of the interaction of calcium carbonate with biopolymers
Современная наука и инновацииAs part of this work, computer quantum chemical modeling of the interaction of calcium carbonate with biopolymers (chitosan, hydroxyethylcellulose, hyaluronic acid) was carried out.
M. A. Pirogov +6 more
doaj +1 more source
Quantum Computer: Quantum Model and Reality [PDF]
, 2020 Any computer can create a model of reality. The hypothesis that quantum computer can generate such a model designated as quantum, which coincides with the modeled reality, is discussed. Its reasons are the theorems about the absence of “hidden variables”
Penchev, Vasil
core +2 more sources
Qubit of quantum computer modeling using density functionals. [PDF]
, 2020 Qubit of Quantum Computer Modeling Using Density ...
Franukevičius, Jonas,
core
Reconstructing enzyme evolution by protein engineering
FEBS Letters, EarlyView.Natural enzyme evolution can be retraced by protein engineering methods such as directed evolution, rational design, and ancestral sequence reconstruction. These approaches reveal how enzymes emerged from ligand‐binding scaffolds, developed varying substrate preferences, formed oligomeric complexes, adapted to environmental changes, and evolved novel ...
Lukas Drexler +2 more
wiley +1 more source
Emerging experimental and computational methods for studying redox‐regulated structural transitions
FEBS Letters, EarlyView.Redox reactions can reshape proteins and alter how they behave in cells, with important consequences for health and disease. This review explores emerging experimental and computational approaches for discovering these redox‐sensitive protein switches, revealing their structural effects, and predicting their behavior, opening new opportunities to ...
Tasneem Rass +2 more
wiley +1 more source
Pitfalls in Computational Modeling of Chemical Reactions and How To Avoid Them
, 2018 Quantum chemical molecular modeling has become a standard tool in organometallic chemistry. In particular, density functional theory calculations are now indispensable for investigating the mechanism of even complex reactions and deliver precise energies
Park, Jiyong +5 more
core +3 more sources
Smaller is better: nanobodies meet NMR
FEBS Letters, EarlyView.Nanobodies are single‐domain antigen‐binding fragments derived from camelid heavy chain antibodies. Their small size, high stability, and exceptional specificity make nanobodies uniquely useful probes for NMR studies of protein dynamics, transient conformational states, and protein–protein interactions.
Oleg Y. Dmitriev
wiley +1 more source