Sentence examples for molecular dynamic studies from inspiring English sources

KKR1 along with KKR2 were further validated using 100 ns molecular dynamic studies.

In addition, molecular docking and molecular dynamic studies revealed the binding patterns of these compounds with Topo I.

The stability of HTMF BSA complex with respect to free protein was analyzed from the molecular dynamic studies.

The insights from docking and molecular dynamic studies will serve as a guideline for the development of potent and selective PPAR-α agonists.

A combination of molecular docking and molecular dynamic studies can therefore be used to select the key interactions between the ligands and the targets that must be retained in new molecules.

These significant variations in flucloxacillin's binding modes indicate that molecular dynamic studies will be needed in order to further investigate the potential binding mode(s) between B*57 01 and flucloxacillin.

The sigma pi interaction between Ile103 with diospyrin ring has revealed greater stable complex after molecular dynamic simulation studies.

In the molecular dynamic simulation studies for 30 ns, compound 12 was found quite stable in the active cavity of MAO-B.

Homology modeling and molecular dynamic simulation studies provided the structural rationale of LdGcs catalytic activity and emphasized on the possibility of involvement of three Mg2+ ions along with Glutamates 52, 55, 92, 99, Met 322, Gln 328, Tyr 397, Lys 483, Arg 494 and Arg 498 in the catalytic function of L. donovani Gcs.

Molecular dynamic simulation studies indicated that the mutation decreased the subunit binding energy and modified the distribution of surface electrostatic potentials.

Molecular dynamic simulation studies have also proven that the adsorbed layer could either enhance or reduce the flow rate in shale reservoirs depending on variations in adsorption under different conditions (Riewchotisakul and Akkutlu 2015; Wang et al. 2016b, c; Wu and Zhang 2016).