Sentence examples for molecular dynamics method from inspiring English sources

We simulated transition events from a cytoplasmic open conformation to a periplasmic open conformation with the dynamic importance sampling molecular dynamics method and observed occluded intermediates.

We investigate the apo-AdK transition at the atomic level both with free-energy calculations and with our new dynamic importance sampling (DIMS) molecular dynamics method.

Parrinello, M. & Rahman, A. Polymorphic transitions in single crystals: A new molecular dynamics method.

Parrinello, M. Polymorphic transitions in single crystals: A new molecular dynamics method.

The suggested technique is based on the molecular dynamics method.

We propose a molecular dynamics method for the multi-overlap algorithm.

Molecular dynamics method is used and scheme of calculational tests is designed.

The force-biased multicanonical molecular dynamics method was used for the enhanced conformational sampling.

This work introduces a nonequilibrium molecular dynamics method for calculating the mutual diffusion coefficient for mixtures.

An improved version of the reactive molecular dynamics method is presented.

The formation mechanism and distribution of C5F10O decomposition products were analyzed through reactive molecular dynamics method and density functional theory.