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The significant feature of CALYPSO requires only chemical compositions for a given cluster to predict its structure.
These new tools can be used for a number of tasks, including calculating the isotopic pattern from a given chemical formula, determining the possible elemental compositions for a given mass (mass decomposition), and calculating the exact mass from a given chemical formula.
At the SIRIUS core lie efficient algorithms for generating all elemental compositions for a given mass and error, calculating isotope patterns for all chemically relevant compositions, and matching and ranking the candidate molecules against the input spectrum.
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We use HP lattice model examples (for which exhaustive enumeration of sequences is practical) to validate our ranking approach in obtaining sequences of lowest energy for any H P residue composition for a given native-state structure.
On the other hand, HEm at 7.64 MPa and 313.15 and 323.15 K varies linearly with CO2 mole fraction in the two-phase region where a gaseous mixture and a liquid mixture of fixed composition, for a given condition of temperature and pressure, are in equilibrium.
These data support the conclusions drawn from the DGGE analysis demonstrating: 1) microbial communities of the three samples differed from one another and 2) bacterial composition for a given sample was comparable among the three extraction methods.
Also, growth rate is inversely related to copy number across cells strains as well as by altering media composition for a given cell strain [28], [29].
"Datagrid Viewer" (Fig. 1f) provides more detailed information about species composition for a given gene family.
The dipeptide composition for a given protein sequence consists of 420 components.
Amino acid composition relates closely to codon composition; for a given amino acid, its expected composition is the sum over all its codons.
Although these data suggest that repair might be possible, our understanding is limited because of the uncertainty in the temporal changes in matrix composition for a given sample.
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CEO of Professional Science Editing for Scientists @ prosciediting.com