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Exact(1)
After optimization and template based alignment of these compounds, descriptors representing steric, electrostatic and hydrophobic energies at all lattice points of the grid around the molecules were computed.
Similar(59)
The structural based alignment of the similar structures and the query superposes ligands onto the query structures.
Gaps and hypermutation of the virus slow conventional string based alignments of the whole genome.
"The balance of risk to global growth is skewed to the upside, particularly given the broad based alignment of macroeconomic indicators in the major developed economies," BHP said in a statement.
Significant potential exists for utilizing this method in place of conventional string based alignment of HIV-1 genomes, such as Clustal X.
PROMALS3D was used for structure based alignment of chitinases (Pei and Grishin, 2007).
DOI: http://dx.doi.org/10.7554/eLife.07607.008 10.7554/eLiFigure07.009 Figure 2 figure supplement 3. Structure based alignment of biochemically characterized LanM enzymes.
Following reference genome based alignment of reads and manual inspection, we used the genome browser GeneScapes to annotate transcriptional active regions (Lorenz et al., manuscript in preparation, downloadable at " http://code.google.com/p/genescapes").com/p/genescapes
Structure based alignments of published SGLT2 inhibitors including selectivity data for SGLT1 were followed by 3D-QSAR studies utilizing CoMFA fields.
The model of the core catalytic domain is based alignments of structures 1AKZ (wild-type UNG2 residues 95 314), 1EMH (substrate complex) and 1SSP (product & product+U) [27].
Codon based alignments of nucleic acid sequences of gene families were generated using PRANK [ 52].
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