Sentence examples for molecular dynamics with from inspiring English sources

molecular dynamics with backbone position restraints.

molecular dynamics with backbone position restraints and simulated annealing.

Recent advances in microscopy have begun to pave the path for linking molecular dynamics with subsynaptic structures.

Other major new functions are included, such as molecular dynamics with different statistical mechanical ensembles and spin-polarized density optimizers.

Especially in biological systems, fractional calculus has more advantages than traditional integer-order calculus in describing molecular dynamics with memory characteristics and historical dependence [4, 5].

The molecular dynamics with effective interatomic interaction potential for SiC incorporating two-body and three-body covalent interactions is also proposed.

The initial model was validated with exhaustive molecular dynamics simulation with and without the natural substrate androstenedione.

The combination of codes includes two-temperature hydrodynamics (2T-HD) code together with MD-MC code (molecular dynamics combined with Monte Carlo method).

A 10 ns all-atom molecular dynamics simulation with periodic water box was conducted using NAMD 2.9 with the CHARMM force field.

In this study the ideal crystals were relaxed using molecular dynamics (MD) with an empirical potential.

They used classical molecular dynamics simulations with the short-range (< 2 Å) modified Brenner (REBO) potential.