Results 11 to 20 of about 56,351 (299)

Tetramethyl biphenyl-2,3,3′,4′-tetracarboxylate

open access: yesActa Crystallographica Section E, 2008
The asymmetric unit of the title compound, C20H18O8, contains two molecules with small geometric differences. The dihedral angles between the benzene rings are 62.94 (12) and 59.99 (12)°.
Jian Men   +4 more
doaj   +1 more source

[2-(3,4-Dimethylbenzoyl)phenyl](4-methoxyphenyl)methanone

open access: yesActa Crystallographica Section E, 2013
The title molecule, C23H20O3, is disordered with a 180° rotation about an axis normal to the length of the molecule, with the major and minor components in a 0.545 (5):0.455 (5) ratio.
Arasambattu K. Mohanakrishnan   +3 more
doaj   +1 more source

Dimethyl 2,2′-dinitrobiphenyl-4,4′-dicarboxylate

open access: yesActa Crystallographica Section E, 2014
The title compound, C16H12N2O8, exhibits two near-planar aromatic ester groups with aryl–ester dihedral angles of 2.1 (2) and 4.2 (3)°. The dihedral angle between the aromatic rings is 58.0 (1)°. The two nitro groups are tilted slightly from the plane of
Ryan L. Lehane   +3 more
doaj   +1 more source

Predicting dihedral angle probability distributions for protein coil residues from primary sequence using neural networks

open access: yesBMC Bioinformatics, 2009
Background Predicting the three-dimensional structure of a protein from its amino acid sequence is currently one of the most challenging problems in bioinformatics.
Fonseca Rasmus, Helles Glennie
doaj   +1 more source

Normal mode analysis calculation for a full-atom model with a smaller number of degrees of freedom for huge protein molecules

open access: yesBiophysics and Physicobiology, 2019
The number of degrees of freedom (DOF), N, in normal mode analysis (NMA) calculations of proteins is a crucial problem in huge systems because the eigenvalue problem of an N-by-N matrix must be solved.
Shigeru Endo, Hiroshi Wako
doaj   +1 more source

2-[3,4-Dibutoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-thienyl]-5-phenyl-1,3,4-oxadiazole

open access: yesActa Crystallographica Section E, 2008
In the title compound, C28H28N4O4S, the dihedral angles between the central thiophene ring and its pendant oxadiazole rings are 1.2 (3) and 9.8 (3)°.
Hai-lin Li   +3 more
doaj   +1 more source

Stereology of dihedral angles [PDF]

open access: yesApplications of Mathematics, 2000
zbMATH Open Web Interface contents unavailable due to conflicting licenses.
openaire   +1 more source

Das Kupfertetramminion, ein empfindliches Reagens für CD-Untersuchungen von Kohlenhydraten

open access: yesCHIMIA, 1973
The circular dichroism spectra of carbohydrate copper tetrammonia solutions allow to get valuable information about the configuration and conformation of sugars.
Wolfgang Voelter   +2 more
doaj   +1 more source

tert-Butyl N-benzyl-N-[4-(4-fluorobenzoylmethyl)-2-pyridyl]carbamate

open access: yesActa Crystallographica Section E, 2008
In the crystal structure of the title compound, C25H25FN2O3, the pyridine ring makes dihedral angles of 75.1 (3), 39.4 (3) and 74.6 (3)° with the phenyl ring, the carbamate plane and the 4-fluorophenyl ring, respectively.
Pierre Koch   +2 more
doaj   +1 more source

Feature selection for protein dihedral angle prediction

open access: yes2017 9th International Conference on Computational Intelligence and Communication Networks (CICN), 2017
Three-dimensional structure prediction has crucial importance for bioinformatics and theoretical chemistry. One of the main steps of three-dimensional structure prediction is dihedral (torsion) angle prediction. As new feature extraction methods are developed the dimension of the input space increases considerably yielding longer model training and ...
Aydin, Zafer   +2 more
openaire   +3 more sources

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