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A minimum of 1,000,000 total glucose molecules were simulated to represent any cellulose substrate during hydrolysis simulations.
Coke particles and hydrocarbon molecules were marked partially on lattice points, and the random movements of the molecules were simulated and the magnitude of the diffusivity was estimated.
With these force fields clusters of rigid C2H4 and rigid C60 molecules were simulated by classical MD.
As in [ 8], mutations in host MHC molecules were simulated by generating new bit strings to account for the fact that variation in MHC genes often arises by micro-recombination rather than by point mutations.
The different molecules and the various target surfaces are illustrated in Figure 2. The target surfaces always consisted of the same molecular species as the incoming molecules, and 100 incident molecules were simulated for each surface.
Similar(53)
Therefore, in the hydrogel cylinders, the vertical anomalous diffusion of molecules was simulated using in a stretched exponential model featuring a concentration-dependent diffusion coefficient54, which was derived from the experimental data.
Collisional processes between electrons and air molecules are simulated with a Monte Carlo technique, according to cross section probabilities.
Various enzymatic manipulations of these mDNA molecules are simulated via toehold-mediated DNA strand displacement reactions.
Methane and nitrogen molecules were modelled using a TraPPE force field (Martin and Siepmann 1998; Potoff and Siepmann 2001), the water molecule was modelled using an SPC-E force field (Berendsen et al. 1987), and the carbon dioxide molecule was simulated by using the EPM2 model (Harris and Yung 1995).
Figure 4 is a plot of the average ΔG of structure formation when shearing of the target molecule is simulated by dividing the target into overlapping 200, 100, and 50mer fragments.
The first test was performed by simulating an enzymatic reaction: A + E → B + E. 1000 molecules of A were simulated with 10 molecules of E and the effective reaction rate was measured by fitting the change in the concentration of A over time.
Related(20)
compounds were simulated
medications were simulated
genes were simulated
species were simulated
pathways were simulated
particles were simulated
sequences were simulated
atoms were simulated
models were simulated
elements were simulated
molecules were designed
molecules were compared
molecules were considered
molecules were collected
molecules were synthesized
molecules were chosen
molecules were expressed
molecules were selected
molecules were shown
molecules were filtered
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