Sentence examples for energetically accessible from inspiring English sources

Although it is true that d orbitals are energetically accessible in elements that display hypervalence, it does not follow that they are responsible for it.

In addition, the dispersion energy of all investigated compounds plays a leading role in determining the energetically accessible stacking motifs.

From the viewpoint of energetics, the large internal surface area of zeolite requires a small surface energy to make the system energetically accessible.

A uniform sampling of all energetically accessible small molecule conformations is essential for the success of protein small molecule docking simulations [1] for example in structure-based computer-aided drug discovery/design (CADD) [1 3].

Entrapping the two dramatically distinct conformational characteristics in the crystalline state clearly suggests that the gauche and the trans effects of the β-Ala moieties are indeed energetically accessible to a short linear peptide and receive strong experimental support.

We present a hybrid computational methodology to predict multiple energetically accessible conformations for G protein-coupled receptors (GPCRs) that might play a role in binding to ligands and different signaling partners.

The experimentally observed utility of this catalyst can be related to the energetically accessible ligand dissociation from the initial Pd(0) species, combined with a low barrier to oxidative addition and sterically unfavourable dimer formation.

However, also ligand-based CADD applications such as three-dimensional quantitative structure activity relationships (3D-QSAR) predictions [4] or pharmacophore modeling [5] rely on the use of conformational ensembles of molecules that capture the bioactive conformation as one of a diverse set of energetically accessible conformations [6, 7].