Sentence examples for molecular dynamics based from inspiring English sources

A subsidiary of Amersham, Molecular Dynamics, based in Sunnyvale Calif., will work with researchers from the society to sequence the DNA of endangered species.

Molecular dynamics based flexible fitting protocols allow subsequent refinement of the atomistic models.

Similar results for the hydrogen capture are obtained by classical molecular dynamics based on the ReaxFF potential.

Here we evaluate the performance of a molecular dynamics based method for predicting the binding affinities of different types of human thrombin inhibitors.

Molecular dynamics based free energy calculations of the peptide binding process are used to determine the interactions as well as the important amino acid residues involving in binding.

In this article, effect of STW defects on the fracture toughness of graphene was studied with the help of molecular dynamics based simulations.

The molecular-dynamics based method used the scoring matrix in Table 1, and the contact map method used the scoring matrix in Table 2.

The identity of these sites, adsorption energies, and configurations of C2H4 in these sites are determined by molecular dynamics calculations based on quantum chemical potentials, as well as from optimizations based on density functional theory (DFT).

Different from molecular dynamics (MD) based on Newton equations, MST is a half-analytical numerical method based on the minimization of Helmholtz free energy.

One of the most promising and most efficient methods for controlling molecular dynamics is based on the observation that interference between multiple paths connecting the same initial and final states applies to all kinds of transitions17,18,19.

Molecular dynamics simulations based on a united atom method are employed to study the molecular response of semi-crystalline polyethylene structures with unidirectional and bidirectional molecular orientation.