Sentence examples for molecular shape to from inspiring English sources

Thus, from a 3DZD point of view, these inactives are closer in the molecular shape to the query than the actives.

Subsequently, we scored by molecular shape to rank and further prioritized virtual hits by three-dimensional shape-based alignment.

Furthermore, a complex generic phase diagram has recently been developed rationalizing the membrane interactions of cationic amphipathic peptides by their molecular shape to explain in a more general sense the mode of action of these cationic amphipathic peptides (Bechinger and Lohner, 2006; Bechinger, 2009).

Surprisingly, co-substrates of all types served as hydrogen donors in the test reaction; several even proved to be superior to those previously described (1 c, 34 c).[ 12] Furthermore, numerous trends could be delineated from the co-substrate screening (Scheme  4): 1) For type I donors, the molecular shape appears to be critical.

Compounds were then characterized by molecular descriptors representing properties related to molecular shape, flexibility, and ability to form different types of non-covalent interactions.

The weight-average molar mass of Fr-I was determined to be 3.872 x 105 g/mol and its molecular shape was revealed to be a rigid rod in an aqueous solution.

Conceivably there are other aspects of molecular shape beyond volume to "recognize" when two shapes are (dis)similar.

Thus, the combination of multiple contacts between the c-di-GMP moieties along with its extensive BSA and molecular shape complementarity lead to the creation of a compact and highly specific c-di-GMP tetramer.

Besides electrostatic interactions, molecular properties of lipids such as their molecular shape and being related to the spontaneous curvature are known to play a significant role for the aggregation state of lipids (Israelachvili et al., 1980; Marsh, 1996; Bechinger, 2009) and, thus, also to affect interactions of these assemblies with membrane-active peptides.

In a poorly understood mechanism, rogue prions "infect" normal prions by changing their molecular shape from a helix to a flat sheet.

The VSEPR theory supposes that all electron pairs, both bonding pairs and lone pairs, repel each other particularly if they are close and that the molecular shape is such as to minimize these repulsions.