Sentence examples for molecular dynamics alone from inspiring English sources
In contrast to molecular dynamics alone, the hybrid approach enables calculation of the vacancy content for arbitrary low deposition rates.
Molecular dynamics simulations have shown that the F1Fo ATP synthase dimer structure alone is sufficient to bend the lipid bilayer and drive row formation (Davies et al., 2012).
Evolving better actin binders being the aim of this study we conducted a comparative molecular dynamics of these two actin-drug complexes and actin complexed with ATP alone, 50 ns each.
We show here that combining knowledge-based conformational sampling in RAPPER with molecular dynamics/simulated annealing (MD/SA) vastly improves the quality and power of refinement compared to MD/SA alone.
This improved method for determining lipid areas helps to reconcile long-standing differences in the values of lipid areas obtained from stand-alone x-ray and neutron scattering experiments and poses new challenges for molecular dynamics simulations.
Briefly, Nedd4-2 WW-domains alone, the SGK peptide and their respective complexes were independently modelled using the Amber94 forcefield, using cycles of molecular dynamics and minimization to determine global minimum energy structures.
A subsidiary of Amersham, Molecular Dynamics, based in Sunnyvale Calif., will work with researchers from the society to sequence the DNA of endangered species.
non-equilibrium molecular dynamics.
molecular dynamics simulation.
nonequilibrium molecular dynamics.
