Results 31 to 40 of about 114,417 (310)

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

Regge calculus from a new angle [PDF]

open access: yes, 2009
In Regge calculus space time is usually approximated by a triangulation with flat simplices. We present a formulation using simplices with constant sectional curvature adjusted to the presence of a cosmological constant.
Bahr B   +22 more
core   +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

Action-angle variables for dihedral systems on the circle [PDF]

open access: yesPhysics Letters A, 2010
A nonrelativistic particle on a circle and subject to a cos^{-2}(k phi) potential is related to the two-dimensional (dihedral) Coxeter system I_2(k), for k in N. For such `dihedral systems' we construct the action-angle variables and establish a local equivalence with a free particle on the circle.
Vahagn Yeghikyan   +2 more
openaire   +3 more sources

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

3,3′-Bis(4-chlorophenyl)-2,2′-(m-phenylenedioxy)diquinazolin-4(3H)-one

open access: yesActa Crystallographica Section E, 2009
In the title compound, C34H20Cl2N4O4, the two quinazoline heterocyclic systems and the adjacent chlorobenzene rings are not coplanar, but oriented at dihedral angles of 66.66 (13) and 52.48 (12)°, respectively.
Hai-Zhou Yang, Hai-Tao Gao, Xu-Hong Yang
doaj   +1 more source

1,2-Bis(2-methyl-5-phenyl-3-thienyl)benzene

open access: yesActa Crystallographica Section E, 2009
In the molecule of the title compound, C28H22S2, the two thiophene rings are twisted with respect to the central benzene ring, making dihedral angles of 71.59 (12) and 50.71 (12)°.
Cong-Bin Fan   +4 more
doaj   +1 more source

Dihedral angles of n-simplices

open access: yesApplied Mathematics Letters, 1992
It is proved that if \(\{v_ 1,\dots,v_ n\}\) is a set of orthogonal nonzero vectors in \(E^ n\), if \(F_ i\) is an \((n-1)\)-dimensional face of the \(n\)-simplex \([v_ 0,v_ 1,\dots,v_ n]\) for \(i=1,2,\dots,n\) and if \(\theta_{kl}\) is the dihedral angle between \(F_ k\) and \(F_ l\), then \(\Sigma\cos^ 2\theta_{kl}=1\). Also in the case of a regular
openaire   +2 more sources

2-(4-tert-Butylphenyl)-5-{3,4-dibutoxy-5-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2-thienyl}-1,3,4-oxadiazole

open access: yesActa Crystallographica Section E, 2008
In the title compound, C36H44N4O4S, the dihedral angles between the central thiophene ring and the pendent oxadiazole rings are 12.7 (2) and 13.7 (2)°, and the dihedral angles between the oxadiazole rings and their adjacent benzene rings
Jian-ning Guan   +3 more
doaj   +1 more source

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