Sentence examples for during md from inspiring English sources

Eight RDCs of ring B, which were not used as structural restraints during MD, were then back calculated using MD structures.

D The total energy of native IFN-CSP and Mu-IFN-CSP during MD simulations.

Capping was initially added to make the structure stable during MD simulation.

Patterned MD membrane exhibited strong antifouling property to Bovine Serum Albumin (BSA) protein during MD separation.

The total energy of native IFN-CSP and Mu-IFN-CSP during MD simulations was showed in Fig. 2D.

These steps eliminate ligands dissociated during MD and result in a strong binder at each pocket (Additional file 2: Table S7).

The enol form of barbituric acid derivatives is found to be more stable during MD simulation as compared to its keto form.

The docked position of the inhibitor is preserved during MD simulations and at least five hydrogen bond forms between the inhibitor and the enzymatic pocket.

A 28 residue long unique motif was identified in Ld-XPRT, which showed highest fluctuation upon substrate binding during MD simulations.

Visualization of the structural change of the Aβ models during MD simulations was carried out by using the visual molecular dynamics (VMD) software (version 1.8.6) [58].

The conformations sampled during MD simulations correspond to a highly multi-dimensional data set due to the large number of degrees of freedom associated with the protein.