Sentence examples for restraints extracted from from inspiring English sources
The program automatically generates a set of restraints that includes the CHARMM forcefield, statistical preferences mined from PDB, and distance and dihedral restraints extracted from aligned templates, than generates a set of models which are consistent with all restraints.
The peptide backbone restraints extracted from JNHα and TALOS were used as dihedral phi and psi angle restraints.
The optimization was guided by spatial restraints extracted from the cryo-EM maps and crosslinking-derived distances from the Salmonella and Shigella D and J orthologues (Sanowar et al., 2010).
For example, Zhang-Server (Zhang, 2009) first does a consensus analysis of the results generated by ∼10 individual threading programs and then refines models using distance restraints extracted from top templates.
A total of 48 restraints were extracted from the spectra and classified as 22 intermolecular and 26 intramolecular restraints (Table S1 and Figure S6).
Structural restraints were extracted from 13C- and 15N-edited three-dimensional NOESY spectra.
Using an iterative assignment and structure calculation protocol, a large number of distance restraints was extracted from 1H/1H mixing experiments recorded on a single uniformly labeled sample under magic angle spinning conditions.
Distance restraints were extracted from two-dimensional CHHC, PAR, PAIN, DARR, and PDSD spectra[ 24– 27].
Distance restraints were extracted from 2D NOESY, 2D H N CPMG-NOESY, 3D N-edited NOESY-HSQC, and 3D N/C-edited NOESY-HSQC spectra recorded in H2O and 3D C-edited HMQC-NOESY spectra collected in D2O.
We report a "top down" method that uses mainly duplexes' global orientations and overall molecular dimension and shape restraints, which were extracted from experimental NMR and small-angle X-ray scattering data, respectively, to determine global architectures of RNA molecules consisting of mostly A-form-like duplexes.
A much larger number of distance restraints could be extracted from a decoupled NOESY spectrum, because signal overlap is greatly reduced.
