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Here, we initialize the Model's boundary conditions to mimic the minimal MgM medium [ 36] and then perform a linear optimization to calculate the maximal flux through the Reaction biomass_iRR1083_metals.
Our model simulates microtubule polymerization one subunit association or dissociation at a time using kinetic Monte Carlo simulations on a two-dimensional lattice with staggered periodic boundary conditions to mimic the cylindrical structure of a 13 protofilament microtubule.
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In the program, the microtubule lattice is represented by a two dimensional lattice with a staggered periodic boundary condition to mimic the cylindrical microtubule structure.
In the model, a unit cell of the nanostructure is built and applied with two pairs of periodic boundary conditions (PBC) to mimic the periodic nature in different lattice directions.
All MD simulations were performed at 300 K under periodic boundary conditions (PBC), to mimic the bulk solvent effect, using the standard "md" leapfrog integrator to solve Newton's equations of motion with a time step of 2 fs.
All the boundary conditions to solve Eqs.
We set the boundary condition to be C ({ x } ) = 0.
The similar case of the kinematic dynamo in a full-sphere (i.e., no inner sphere), but with boundary conditions that mimic the tangent cylinder flow of spherical Couette (polar caps that rotate at a different rate from the rest of the spherical boundary), was studied by Schaeffer and Cardin (2006).
This allowed getting different amplitudes for each species, a necessary condition to mimic natural conditions.
HDX conditions aimed to mimic the demethylation assay conditions as described in Fig. 2. Apo conditions were compared to the conditions with substrate and/or effector peptides.
With the goal of minimizing the domain size for molecular dynamics (MD) simulations, we develop a new class of absorbing boundary conditions (ABCs) that mimic the phonon absorption properties of an unbounded exterior.
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