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Exact(17)
Ceramide molecules were chosen from the sphingosine and phytosphingosine groups.
Molecules were chosen at random from ZINC lead-like.
To test the efficiency of the quadrupole filters devised, two sets of molecules were chosen.
Eventually, the top 10000 (pharmacophore) molecules were chosen to the docking process.
For the screening experiments, two data sets (MDDR1 and MDDR2) with 102516 molecules were chosen from the MDDR database.
Three molecules were chosen, all of which were hydrophobic and poorly soluble, representative of different polyphenol classes: quercetin (QT) among the flavonoid group, curcumin (CUR) as representative of curcuminoids, and resveratrol (RSV) among the stilbenes.
Similar(43)
Herein, CA coupled with four amino group-containing small molecules are chosen as models to synthesize CDs for a systematical study on the photoluminesce (PL) properties.
At each iteration, one or two molecules are chosen at random from the source set depending on the rule set that is being used (one molecule with enzymatic reaction rules, two molecules with isomer transformation rules).
The number of H2O molecules was chosen to be at least the minimal number necessary to form one H-bond to each of the possible H-bonding atoms in the U coordination sphere (e.g., 2 H2O molecules for each U-OH2 group).
For simplicity, in the calculations of this study, the concentration of the adsorbed molecules was chosen as 1/3 of ML that corresponds to the (√3 × √3 R 30° overstructure with respect to the unit cell of graphene (shown in Figure 1 as dashed- and solid-line rhombus, respectively).
After randomly generating the positions of the starting Ras molecules on the lattice, individual Ras molecules are chosen at random and attempted to move to a new location on the lattice.
Related(20)
molecules were visualized
molecules were carried
molecules were treated
molecules were subjected
molecules were picked
molecules were activated
molecules were discarded
molecules were assessed
molecules were deposited
molecules were collected
molecules were monitored
molecules were included
molecules were increased
molecules were observed
molecules were localized
molecules were drawn
molecules were retrieved
molecules were calculated
molecules were discovered
molecules were dissolved
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