Приклади вживання Molecular dynamics Англійська мовою та їх переклад на Українською
{-}
-
Colloquial
-
Ecclesiastic
-
Computer
Visual Molecular Dynamics.
Key words: DNA, macromolecule, structure counterions, molecular dynamics.
Monte Carlo and Molecular Dynamics methods.
Molecular dynamics, computer simulations.
Monte Carlo and molecular dynamics simulations.
Hydration change on complexation of aromatic ligands with DNA: molecular dynamics simulations.
Amber is a package of programs for molecular dynamics simulations of proteins and nucleic acids.
New technique of identifying the hierarchy ofdynamic domains in proteins using a method of molecular dynamics simulations.
Key words: molecular dynamics method, irradiation, radial distribution function.
Conformational relaxations of human serum albumin studied by molecular dynamics simulations with pressure jumps.
Key words: molecular dynamics, diffusive motion, collective effects, He and Ar aqueous solutions.
Key words: thermal conductivity coefficient, molecular dynamics, nanocomposite, amorphous SiO2, nanocrystal.
Key words: molecular dynamics, intermolecular interaction energy, local structure, hydrogen bond.
For example,combining chemical kinetics and fluid mechanics or combining finite elements with molecular dynamics.
Simulations in molecular dynamics divide the space in which the simulation take place into cells.
This computer is used for nuclear weapon security andfor the calculations of molecular dynamics on a large scale.
Molecular dynamics simulation study of effect of the conservative Leu10→Ile mutation on intramolecular mobility of HIV-1 protease.
Key words: bacterial photoreaction centers, Rhodobacter Sphaeroides, molecular dynamics, force field, cofactor hydration.
The molecular dynamics method simulates the aqueous solutions of carbon nanotubes, functionalized by the anionic groups-COO- at the edges.
The mechanisms of substrates interaction with the active site of Mycobacterium tuberculosis tyrosyl-tRNA synthetase studied by molecular dynamics simulations.
Levitt was one of the first researchers to conduct molecular dynamics simulations of DNA and proteins and he also developed the first software for this purpose.
The character of hydration of Na+, K+, Cs+ and Mg2+ counterions interacting with DNAdouble helix is studied using molecular dynamics simulations.
Molecular dynamics(currently using Lennard-Jones potential): gas and liquid, condensation and evaporation, calculation of macroscopic quantities and their variances.
Virtual screening of combinatoriallibraries for hit compounds using docking and molecular dynamics simulation techniques, homology modeling(if required).
Molecular dynamics simulations of the formation processes of growth morphology and structure of metal-oxide nanoclusters which formed from erosion laser plasma in chemically active environment.
To check the reliability of these methodological approaches the molecular dynamics of a set of water-soluble globular proteins was computed using classical protein-validated force fields.
Being a single integrated application it covers both the analysis andthe visualization of large-scale atomistic datasets produced by molecular dynamics/statics and Monte-Carlo simulation codes.
An international team of researchers has calculated the molecular dynamics of a process in which oxygen passes through a series of metastable states, turns into ozone, and subsequently disintegrates.
Receptor-based virtual screening and computational chemistry calculations, SAR analysis,intensive research in the field of molecular dynamics simulation of macromolecules and their complexes with small molecule ligands.
The direct simulation of protein conversion by molecular dynamics methods with an energy function that takes into account the details of interactions at the atomic level is nowadays practically insoluble due to the high demand for computational resources.