rotamer

(redirected from rotamers)

ro·ta·mer

(rō'ta-mĕr),
An isomer differing from other conformation(s) only in rotational positioning of its parts, such as synperiplanar and synclinal forms.

ro·ta·mer

(rō'tă-mĕr)
An isomer differing from other conformation(s) only in rotational positioning of its parts, such as cis- and trans- forms.
References in periodicals archive ?
The isomers of lysine 113 in Air-AAR1-Like and lysine 132 in Air-CCAPR1-Like were adjusted using Dunbrack's list of rotamers (Dunbrack, 2002).
Isolation and identification of flavonoids, including flavone rotamers, from the herbal drug 'Crataegi folium Flore' (Hawthorn), Phytochemical analysis, 16: 334-341, 2005.
4 in which the influence of the THF ring's orientation on the potential energy of the rotamers is represented.
The topics include macromolecules and Chimera, algorithms dealing with distance, structure overlap and alignment, and rotamers and side-chain conformation.
The density for Br2' is weaker than that for Br4', likely due to different rotamers of the second ring, which would maintain the position of Br4' but reposition Br2' in multiple orientations.
Complete equilibrium geometries have been determined for both rotamers by ab initio calculations employing a variety of basis sets up to 6-311+G(2d,2p) at levels of restricted Hartree-Fock (RHF) and/or Moller Plesset (MP) to second order.
Two of these are dual-conformation peptide units; the remainder involves alternate rotamers of side chains either alone or in small clusters.
The relative energies of rotamers range between 0 to 16 kcal/mol.
The rotamers of the conserved amino acids were maintained during model building.
Briefly, the lowest energy rotamers present a syn methylester group on an E side chain with a pseudo H-bond between the hydroxy H and the prenyl [pi] density (Fig.
1] torsion angles of the model was compared with a distribution of rotamers in the WHATIF database.