Gromacs [ 44] was employed to simulate each protein-ligand complex under dynamic conditions using classical molecular dynamics theory.
For each docking pose in the dock simulation, the protein-ligand complex has been simulated under dynamic conditions with classical molecular dynamics theory using Gromacs 4.5.5 [ 57].
Gromacs 4.5.5 [ 42] was employed for the molecular dynamics (MD) simulation using classical molecular dynamics theory, which simulates each protein-ligand complex under dynamic conditions.
The molecular dynamics (MD) simulation utilizing Gromacs 4.5.5 [ 50] was employed using classical molecular dynamics theory to simulate each protein-ligand complex under dynamic conditions.
Tools to manage this complexity under dynamic conditions are needed.
Under dynamic conditions, the balance and effort to mange competing needs must be continuously revisited.
The blood-material interaction was analysed under dynamic conditions.
Under dynamic conditions, our theory describes reasonably well desalination cycles.
Therefore, the leakage behaviour under dynamic conditions has to be evaluated as well.
Despite being widely used, no specific design procedure is available for conical tanks under dynamic conditions.
The performance of the hybrid membrane was determined under dynamic conditions.
