Conformations that correspond to local maxima on the energy surface are the transition states between the local-minimum conformational isomers. (wikipedia.org)
Electronic2
The influence of ligand conformational isomerism on optical and electronic properties was calculated, revealing that the ligand conformations affect the nanocluster absorption spectrum, which potentially provides a way to distinguish between isomers at low temperature. (bvsalud.org)
5-9 However, no literature references are given, and Deslongchamps 6 admits that "there is no direct experimental evidence to show the importance of [these] secondary electronic effects" (p 57). (stackexchange.com)
Stability2
Since these features are dependent on the three-dimensional chemical structure of a molecule, simple structural modifications can affect its conformational stability and, consequently, the corresponding physicochemical/biological property of interest. (beilstein-journals.org)
In this work, we show how strategic positioning of chiral (S)- and (R)-(1-carboxyethyl)glycine units influences the conformational stability of water-soluble macrocyclic peptoids as sodium complexes. (bvsalud.org)
Tertiary3
The characteristic 3-dimensional shape of a protein, including the secondary, supersecondary (motifs), tertiary (domains) and quaternary structure of the peptide chain. (lookformedical.com)
Unlike the linear arrangement of the primary structure or the regular patterns of secondary structures, the tertiary structure of a protein refers to the three-dimensional shape that a single protein molecule attains. (studysmarter.co.uk)
The distinction between the primary, secondary, and tertiary structures of proteins relates to the degrees of complexity and organization of these biomolecules. (studysmarter.co.uk)
Chemistry1
In chemistry, conformational isomerism is a form of stereoisomerism in which the isomers can be interconverted just by rotations about formally single bonds (refer to figure on single bond rotation). (wikipedia.org)
Molecules2
X @ C ⋯ Y ₪ ic Y @ C ⋯ X , ( ₪ is the isomerism relation) as an isomerism in the three-component system of molecules X , Y , and a cage C, in which one of the molecules is located inside and the other outside the cage. (mdpi.com)
Larger molecules often exist in multiple stable geometries conformational isomerism that are close in energy on the potential energy surface. (wort-liebe.com)
Polypeptide chain1
Small proteins usually consist of only one domain but larger proteins may contain a number of domains connected by segments of polypeptide chain which lack regular secondary structure. (lookformedical.com)
Protein Structure1
The level of protein structure in which combinations of secondary protein structures (alpha helices, beta sheets, loop regions, and motifs) pack together to form folded shapes called domains. (lookformedical.com)
Interactions3
In this work, structural changes in 2-fluorocyclohexanone were theoretically studied with the aim at finding intramolecular interactions that induce the conformational equilibrium towards the axial or equatorial conformer. (beilstein-journals.org)
While the gauche effect, originated from hyperconjugative interactions, does not appear to cause some preferences for the axial conformation of organofluorine heterocycles, more classical effects indeed rule the conformational equilibrium of the compounds. (beilstein-journals.org)
A fluorine substituent in organofluorine compounds affects conformational properties, since it can induce stereoelectronic effects, such as σ C-H to σ* C-F hyperconjugative interactions in case of an antiparallel oriented C-H bond. (beilstein-journals.org)
Structures2
This involves further folding and twisting of the secondary structures into a complex shape. (studysmarter.co.uk)
This refers to the complete three-dimensional structure of a protein, resulting from further folding of the secondary structures. (studysmarter.co.uk)
Chemical1
Conformational isomers are thus distinct from the other classes of stereoisomers (i. e. configurational isomers) where interconversion necessarily involves breaking and reforming of chemical bonds. (wikipedia.org)
Structure2
Conformational analysis also plays an important role in rational, structure-based drug design. (wikipedia.org)
The detection of highly symmetric C4- and C3-symmetric metalated species demonstrates that a full understanding of the relationship between the structure and conformational properties of peraza-macrocyclic metal complexes is possible. (bvsalud.org)
Potential energy1
While any two arrangements of atoms in a molecule that differ by rotation about single bonds can be referred to as different conformations, conformations that correspond to local minima on the potential energy surface are specifically called conformational isomers or conformers. (wikipedia.org)
Change1
Initially, binding of a ligand to the RCK domains induces a conformational change. (elifesciences.org)
Form2
The ring-flip of substituted cyclohexanes constitutes another common form of conformational isomerism. (wikipedia.org)
It can undergo a secondary reaction to form N6-(2-deoxy-d-erythro-pentofuranosyl)-2,6-diamino-3,4-dihydro-4-oxo-5- N-methylformamidopyrimidine (MeFapy-dG). (nih.gov)
Role2
The carbonyl group also plays a determinant role in the conformational isomerism of ketones and aldehydes [14-17] . (beilstein-journals.org)
The cis/trans relative configuration of the cyclobutane residue is the origin of the folding pattern of each peptide due to either intra- or inter-residue hydrogen-bonded ring formation, whereas the cis/trans isomerism of the γ-amino-l-proline residue does not have a significantly relevant role on the folding ability of these peptides. (uab.cat)
Local1
Conformations that correspond to local maxima on the energy surface are the transition states between the local-minimum conformational isomers. (wikipedia.org)