Значения термина molecular simulation на английском

The protein (wild and mutants) complexes were further validated with molecular simulation.

A novel variational method for construction of free energy profiles from molecular simulation data is presented.

In this study, we combine neutron reflectometry and molecular simulation to explore the physical properties of OM mimetics.

We present here the high-resolution crystal structures and molecular simulation studies of both A-form and B-form DNA duplexes containing 5hmC.

The findings presented here will help to improve the existing generalized Born based implicit solvent models implemented in state-of-the-art molecular simulation packages.

The part where it says, 'enters molecular simulation regime begins imitating host.' That sounds like a self-replicating mechanism we don't know beans about.

A hybrid molecular simulation technique, which combines molecular dynamics and continuum mechanics, was used to study the single-molecule unbinding force of a streptavidin-biotin complex.

Molecular simulations have become an essential tool for biochemical research.

Molecular simulation can complement experiments by modeling the dynamical time evolution of biomolecular systems in atomistic detail.

Molecular simulation using normal mode analysis (NMA) illustrated the docking complex as a stable one.

The method provides a powerful framework from which linear-scaling force fields for molecular simulations can be developed.

Molecular simulations highlight essential aspects of the chemistry that governs interactions between the SiO 2 and surrounding water.

The structure of its dehydroxylated form has thus been elucidated by coupling molecular simulations and X-ray powder diffraction data.

We performed single molecule charge transport experiments and molecular simulations on a series of arylacetylenes using gold and silver electrodes.

The Poisson-Boltzmann implicit solvent (PB) is widely used to estimate the solvation free energies of biomolecules in molecular simulations.

We perform grand-canonical molecular simulations to study the molecular mechanism of clay swelling hysteresis as a function of the relative humidity.