Computer-Aided Drug Design in Epigenetics
Frontiers in Chemistry, 2018 Epigenetic dysfunction has been widely implicated in several diseases especially cancers thus highlights the therapeutic potential for chemical interventions in this field.
Wenchao Lu +9 more
doaj +1 more source
Quantum-chemical study of dispersion medium influence on the emulsifying ability of milk proteins [PDF]
Vestnik MGTU, 2016 Nowadays the products containing milk proteins are widely used in meat industry. Due to these substances application protein-fatty emulsions are stabilized, products consistency, succulence and appearance are made better.
Borisenko A. A.
doaj +1 more source
A full circuit-based quantum algorithm for excited-states in quantum chemistry [PDF]
QuantumUtilizing quantum computer to investigate quantum chemistry is an important research field nowadays. In addition to the ground-state problems that have been widely studied, the determination of excited-states plays a crucial role in the prediction and ...
Jingwei Wen +9 more
doaj +1 more source
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
RSC Advances, 2018 Chemical reaction-transport model of ZnO thin film deposited by DEZn and O2 in MOCVD.
Jian Li +5 more
openaire +3 more sources
Modeling stochastic chemical kinetics on quantum computers
The Journal of Chemical PhysicsThe Chemical Master Equation (CME) provides a highly accurate yet extremely resource-intensive representation of stochastic chemical reaction networks and their kinetics due to the exponential scaling of its possible states with the number of reacting species.
Tilas Kabengele +3 more
openaire +2 more sources
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
Quantum Chemical Calculations by Parallel Computer from Commodity PC
Nonlinear Analysis, 2007 Computational quantum chemistry helps us to determine, calculate, and study new concepts, compounds, reactions and mechanisms. Such way is very useful with compounds that require exceptionally care in their handling, such as explosives, decreasing risk ...
S. Bekešienė, S. Sėrikovienė
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
Article Establishment of the structure of hydrate-solvate complexes of iodine extracted from model aqueous solutions in the system I2 – NaCl – Н2О – tributylphosphate /isooctane [PDF]
Известия Саратовского университета. Новая серия: Серия Химия. Биология. ЭкологияThe equilibrium parameters of the extraction of iodine from aqueous model solutions of various compositions have been determined and the infl uence of the background mineralization of the raffi nate has been revealed.
ponomareva, polina Александровна +1 more
doaj +1 more source