Results 21 to 30 of about 114,417 (310)

Dihedral-torsion model potentials that include angle-damping factors. [PDF]

RSC Adv
Manz TA.
europepmc   +2 more sources

A stereoscopic method for dihedral angle measurement [PDF]

Journal of Materials Science, 2005
A new method is presented for the measurement of equilibrium dihedral angles in intergranular inclusions, and illustrated with pure copper containing 1 wt% lead. The method is based on the selective dissolution of inclusions visible along a polished metallographic section.
Felberbaum, L., Rossoll, A., Mortensen, A.   +2 more
openaire   +3 more sources

Retinal location and structure in squid rhodopsin [PDF]

, 2021
In order to understand retinal we calculated the dihedral angles around carbon axis IOC-12C, since two different carbon sequences 9C-10C-11C-12C and 10C-11C-12C-13C exist. We also calculated the distances between two specified carbon pairs. Those results
Kito, Masashi, Maddess, Ted, Nagai, Yoshinori   +2 more
core  

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

Acta 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, Wei Chen, Yan Jiang, Xiao-yan Ma, Guo-wei Gao   +4 more
doaj   +1 more source

A semiclassical tetrahedron [PDF]

, 2006
We construct a macroscopic semiclassical state state for a quantum tetrahedron. The expectation values of the geometrical operators representing the volume, areas and dihedral angles are peaked around assigned classical values, with vanishing relative ...
Ashtekar A, Ashtekar A, Baez J C, Barrett J W, Bianchi E Modesto L Rovelli C Speziale S, Brunnemann J, Carbone G, Carlo Rovelli, Freidel L, Livine E R Speziale S Willis J L, Major S A, Ponzano G, Rovelli C, Rovelli C, Rovelli C, Simone Speziale, Speziale S   +16 more
core   +3 more sources

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

Acta 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, R. Sivasakthikumaran, K. Sethusankar, G. Jagadeesan   +3 more
doaj   +1 more source

4-(4-Nitrophenoxy)biphenyl [PDF]

, 2009
The two phenyl rings of the biphenyl unit of the title compound, C18H13NO3, are almost coplanar [dihedral angle 6.70 (9)°]. The nitrophenyl ring, on the other hand, is significantly twisted out of the plane of the these two rings, making dihedral angles ...
Akhter, Toheed, Akhter, Zareen, Baig, M. Amin, Bolte, Michael, Siddiqi, Humaira Masood   +4 more
core   +3 more sources

Feature selection for protein dihedral angle prediction [PDF]

2017 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, Kaynar, Oguz, Gormez, Yasin   +2 more
openaire   +3 more sources

2-(3,5-Dimethylbenzene)-1-ferrocenylmethyl-1H-1,3-benzimidazole [PDF]

, 2007
In the title molecule, [Fe(C5H5)(C21H19N2)], the five-membered imidazole ring forms dihedral angles of 88.61 (8) and 42.15 (6)° with the substituted cyclopentadienyl and dimethyl-substituted benzene rings, respectively. In the crystal structure, there is
Gallagher, John F., Hanlon, Keith, Howarth, Joshua   +2 more
core   +1 more source

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

BMC 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