Sentence examples similar to molecular dynamic simulated from inspiring English sources

The optimization protocol used consists of 200 iterations of conjugate gradient, followed by molecular dynamic simulation for 4fs and simulated annealing with 200 iterations at different temperatures (This is the default protocol suggested in Model_mutate.py of Modeller - http://salilab.org/modeller/wiki/Mutate%20model ).

Experimentally derived DEER distances coupled with simulated annealing molecular dynamic simulations were used to probe the bilayer structure of the TMD of KCNE1.

The flexible loop regions were modeled using high temperature simulated annealing and constrained molecular dynamic simulations.

Each model underwent molecular dynamic simulation for 30 ns.

The molecular dynamic simulation was carried out by GROMACS 4.5.5 package [ 59] to simulate the dynamic structure of BACE1 with docked compounds.

Because of the relatively large size of the simulated systems in this study, a CG modeling technique using LAMMPS molecular dynamic simulation code was adopted based on a semi-crystalline lattice method for generating entangled polymer structures[16 18].

One is an MPI-based molecular dynamic simulation (MDS) code, the other is a finite element-based computational fluid dynamics (CFD) code for simulating incompressible Navier Stokes flows.

molecular dynamic simulations.

C The RMSDs of the molecular dynamic simulation systems.

Additional structural and molecular dynamic simulation data.

We evaluated the virtual screened model of cysteine synthase using the molecular dynamic stability criteria by performing the molecular dynamic simulation study using GROMACS 4.0.6 software package.