Sentence examples for bonding profile from inspiring English sources

To study the structural and functional implications of these mutations on RING2-REP domain of Parkin, we studied the solvent accessibility (SASA/RSA), hydrophobicity, intra-molecular hydrogen bonding profile and domain analysis by various computational tools.

H-bond profiling, interface analysis and conformational analysis of complexes before and after the simulations were used as criterions to analyse the stability of the protein protein complexes.

Considering all above observations in ROG, RMSD and intra H-bonds profiling collectively, it can be said that modeled structure was not one of the most stable confirmation of LPKCL, which is why it deviated from its native structure by ~5Å during the MDsimulation.

Figure 6 depicted the quantitative H-bonding profile for both the O1 as well as the N1.

In both the cases, we observed almost similar H-bonding profile between the ligand molecules and water models, which ranges from 2 to 3 strong polar contacts.

Thus, RMSF fluctuation of model LdAdk and the H-bonding profile of ligand-water suggested possible explanation, what factors make ligands intact within active site.

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Figure 5 shows the torsional bond energy profile of the methyl group.

This information guided docking studies and molecular dynamics simulations (50 000 ps) that supports 2d putative binding profile (H-bonding to Ser-111 and Leu-66) and shall be useful to design more potent inhibitors.

Bond stress profiles were determined in accordance with attached strain gauge measurements along the steel bars.

We also report results for different flavors of BCL that use different schemes for rotamer library generation—(a) using a 60° torsion binning (BCL_60), (b) rotamer library derived from only the CSD (BCL_CSD), (c) rotamer library containing only single dihedral bond torsion profiles (BCL_D).