Results 1 to 10 of about 114,417 (310)

Dimethyl 2,2′-dinitrobiphenyl-4,4′-dicarboxylate [PDF]

Acta 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, James A. Golen, Arnold L. Rheingold, David R. Manke   +3 more
doaj   +4 more sources

Naive Prediction of Protein Backbone Phi and Psi Dihedral Angles Using Deep Learning [PDF]

Molecules, 2023
Protein structure prediction represents a significant challenge in the field of bioinformatics, with the prediction of protein structures using backbone dihedral angles recently achieving significant progress due to the rise of deep neural network ...
Matic Broz, Marko Jukič, Urban Bren
doaj   +2 more sources

RaptorX-Angle: real-value prediction of protein backbone dihedral angles through a hybrid method of clustering and deep learning [PDF]

BMC Bioinformatics, 2018
Background Protein dihedral angles provide a detailed description of protein local conformation. Predicted dihedral angles can be used to narrow down the conformational space of the whole polypeptide chain significantly, thus aiding protein tertiary ...
Yujuan Gao, Sheng Wang, Minghua Deng, Jinbo Xu   +3 more
doaj   +2 more sources

Time dependent dihedral angle oscillations of the spike protein of SARS-CoV-2 reveal favored frequencies of dihedral angle rotations [PDF]

Scientific Reports
The spike protein of SARS-CoV-2 is critical to viral infection of human host cells which ultimately results in COVID-19. In this study we analyzed the behavior of dihedral angles (phi and psi) of the wild-type spike protein over time from molecular ...
Oscar H. Bastidas, Zoran Sevarac
doaj   +2 more sources

Optimization of Protein Backbone Dihedral Angles by Means of Hamiltonian Reweighting. [PDF]

J Chem Inf Model, 2016
Margreitter C, Oostenbrink C.
europepmc   +2 more sources

GeoPCA: a new tool for multivariate analysis of dihedral angles based on principal component geodesics. [PDF]

Nucleic Acids Res, 2015
Sargsyan K, Wright J, Lim C.
europepmc   +3 more sources

A complete set of cross-correlated relaxation experiments for determining the protein backbone dihedral angles. [PDF]

J Biomol NMR
Bartosińska-Marzec P, Banaś B, Kauffmann C, Beier A, Braun D, Ceccolini I, Koźmiński W, Konrat R, Zawadzka-Kazimierczuk A.   +8 more
europepmc   +2 more sources

Machine learning approaches demonstrate that protein structures carry information about their genetic coding

Scientific Reports, 2022
Synonymous codons translate into the same amino acid. Although the identity of synonymous codons is often considered inconsequential to the final protein structure, there is mounting evidence for an association between the two.
Linor Ackerman-Schraier, Aviv A. Rosenberg, Ailie Marx, Alex M. Bronstein   +3 more
doaj   +1 more source

Dihedral-Angle-Controlled Crossover from Static Hole Delocalization to Dynamic Hopping in Biaryl Cation Radicals [PDF]

, 2016
In cases of coherent charge-transfer mechanism in biaryl compounds the rates follow a squared cosine trend with varying dihedral angle. Herein we demonstrate using a series of biaryl cation radicals with varying dihedral angles that the hole ...
Bates, Benniston, Brunschwig, Cui, Hanss, Heckmann, Mishchenko, Mulliken, Rathore, Rathore, Rathore, Reed, Scholes, Shukla, Spettel, Talipov, Talipov, Talipov, Talipov, Talipov, Venkataraman, Vonlanthen, Weinhold, Zhai, Zhai   +24 more
core   +2 more sources

Andreev's Theorem on hyperbolic polyhedra [PDF]

, 2006
In 1970, E. M. Andreev published a classification of all three-dimensional compact hyperbolic polyhedra having non-obtuse dihedral angles. Given a combinatorial description of a polyhedron, $C$, Andreev's Theorem provides five classes of linear ...
Dunbar, William D., Hubbard, John H., Roeder, Roland K. W.   +2 more
core   +3 more sources