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For the NAL enzyme described here, crystallography reveals alignment of the new catalytic thialysine in the enzyme active site placed in a conformation set up for efficient catalysis.
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For titanocene/cyclodextrin complex optimization experiments, the titanocene and cyclodextrin structures in minimal energy conformations were set up at various distances and positions between molecules (molecular mechanics functionality, MM+).
The enhanced DOVIS software will take multiple conformations of a receptor, automatically set up multiple sets of energy grids, dock ligands into each receptor conformation, and process the results.
We have set up a hidden Markov model that discretizes protein backbone conformation as series of overlapping fragments (states) of four residues length.
We have recently set up a Hidden Markov Model to optimally compress protein three-dimensional conformations into a one-dimensional series of letters of a structural alphabet.
If using pre-registration, set up a cutoff date to ensure you have enough time to send electronic conformation and your paperwork is in order.
Set up by Ryan.
Dr. Reisner set up….
Saw, set up, saw, and set up.
Set up a hammock.
Set up permanent blocking.
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