Sentence examples for backbone movements from inspiring English sources

Ensembles of low-energy conformations can appear, however, in other regions, especially when backbone movements occur upon binding.

By docking capsaicin to the closed state, or to open states with or without backbone movements, the sequential events underlying capsaicin binding and activating TRPV1 started to emerge.

Comparing the resulting transient pockets revealed fundamental differences in the number of pockets, their volume, their polarity and reflected the intrinsic influence of the backbone movements on the formation of surface pockets.

We also evaluate a model of backbone flexibility based on Backrub motions, a type of conformational change frequently observed in ultra-high-resolution X-ray structures that accounts for correlated side-chain backbone movements.

We are also working on incorporating the ANGLOR prediction into the I-TASSER simulation [22], [32] for ab initio protein structure modeling, where the dihedral angles are used as restraints to guide the local backbone movements.

In particular, this method optimizes the side chain conformations in the interface, models backbone movements, minimizes the relative orientations of the molecules and ranks the refined solutions by a binding energy scoring function [29].

Unlike many of the available computational approaches, the procedure allows for backbone movement as well as redocking of the associated ligands after a prespecified number of design iterations.

Previously, an approach to loop remodeling where protein backbone movement is directed by side-chain rotamers predicted to form interactions previously observed in native complexes (termed "motifs") was described.

To estimate the probable extent of backbone movement and side-chain mobility, restrained molecular dynamics simulations were compared for candidate sequences and controls, including substitution of Abu for all or half the core Ala residues.

The model shows promise also for predicting DNA-binding specificity for fixed protein sequences: native DNA sequences are selected correctly from pools of competing DNA substrates; however, incorporation of backbone movement will likely be required to improve performance in homology modeling applications.

A special fold tree [10] is created to constrain backbone movement to the designed site, i.e. there will be no conformational changes in regions that are neither repackable nor designable.