Sentence examples for minimised using the from inspiring English sources

The fully solvated system was minimised using the conjugated gradient method.

The coordinates of the heavy atoms of the protein and the ligand were held fixed and the protons were energy minimised using the other default settings in MOE.

The structure of Intergen (II) was also minimised using the method described above for Insugen (I), but was not split into two pdb files beforehand as no disordering was modelled for this structure, (Fig. 16).

Additionally, the conformational energy penalties (ΔE intra) with respect to the global conformational energy minimum were calculated, keeping the experimental ϕ and ω torsions fixed, and the rest of the molecule was minimised using the same method as applied for the grid calculations.

The energy of the solvated molecular complex was minimised using the general AMBER force field with a steepest descent method that was continued for 50,000 time steps (one time step one femtosecond) or until the RMSD had fallen below 0.01 Å between successive time steps.

Capacitance transients were minimised using the capacitance neutralisation circuits on the amplifier.

The models were energy-minimised using the Schrodinger OPLS_2005 force-field.

The latter error can be minimised using short evaluation ranges for the structural reverberation time.

Head movement and scanner noise were minimised using soft cushions to support the participant's head within the head coil.

After that they were minimised using MOE standard settings with the option "add hydrogens" disabled and the option "preserve existing chirality" enabled.

The missing hydrogen atoms were added, and side chains were then energy-minimised using the OPLS-2005 field field (as implemented by using Maestro software [ 42]).