Sentence examples for molecular dynamics methods from inspiring English sources

Molecular dynamics methods can be classified into more specific classes of methods.

Molecular dynamics methods can be "improved" by injecting quantum characteristics to the models (semi-classical methods).

First-principle molecular dynamics methods were used to directly simulate the internal motion for these ionic complexes.

Then the model structure is further refined by energy minimization and molecular dynamics methods.

Here, xylanases derived from Orpinomyces sp. PC-2 were engineered guided by molecular dynamics methods to obtain more thermostable enzymes.

Dealing with molecular docking and molecular dynamics methods, the interaction between PT and hIL-6R was analyzed.

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.

The suggested technique is based on the molecular dynamics method.

The formation of hybrid r(C 25 with SWNT was simulated by the molecular dynamics method.

This review focuses mainly on computational studies of HS conducted using the molecular dynamics method.