Sentence examples for conformation space from inspiring English sources

The dimensionality of the conformation space is of the same order as the number of degrees of conformational freedom in three-dimensional space.

These pathways are compactly encoded in a graph, which is constructed by sampling a molecular conformation space at random.

Our method is based on random sampling of conformation space and subsequent local energy minimization.

The conformation space network describes the significant free energy minima and their dynamic connectivity without requiring arbitrarily chosen reaction coordinates.

Adequate sampling of conformation space remains challenging in atomistic simulations, especially if the solvent is treated explicitly.

Analysis of PSD scores suggests that there is a continuous aspect of protein conformation space, even though various classification schemes are extremely useful.

Mapping the coarse and fine structure in ion mobility-mass spectrometry conformation space measurements provides an atlas for interpretation and discovery in complicated spectra.

The conformation space of a 20 residue antiparallel β-sheet peptide, sampled by molecular dynamics simulations, is mapped to a network.

Classic molecular motion simulation techniques, such as Monte Carlo (MC) simulation, generate motion pathways one at a time and spend most of their time in the local minima of the energy landscape defined over a molecular conformation space.

From the molecular docking result we concluded that the conformation space generated by deformation of the flexible residue Phe31 is favorable for the binding of the spiro-ring, and inserting heteroatom into spiro ring might increase the binding affinity.

Proteins explore the conformation space by searching these flat subspaces to find a narrow energetic alley that we call a hypergutter and then explore the next, lower-dimensional, subspace.