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Calculation of protein tertiary structure

Journal of Molecular Biology, 1976
Abstract We describe a method for calculating the tertiary structure of proteins given their amino acid sequence. The algorithm involves locally minimizing an energylike expression as a function of the Cartesian co-ordinates of the C β of all residues.
I D, Kuntz   +3 more
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Tertiary Structure Prediction

1989
The polypeptide chain of globular protein is linear, but the three-dimensional of tertiary structure is quite contorted. This was apparent from the first crystallographic determination of the structure of a protein by Kendrew et al. (1960). The contortion arises because of the need to satisfy a multitude of conflicting interactions: the hydrogen ...
Fred E. Cohen, Irwin D. Kuntz
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Computing tertiary structures of proteins

Journal of Protein Chemistry, 1990
Using only data on sequence, a method of computing a low-resolution tertiary structure of a protein is described. The steps are: (a) Estimate the distances of individual residues from the centroid of the molecule, using data on hydrophobicity and additional geometrical constraints. (b) Using these distances, construct a two-valued matrix whose elements,
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Phylogenetics: Tertiary protein structures needed

Nature Ecology & Evolution, 2017
We need to estimate protein tertiary structure, as well as using primary sequences, in order to further our understanding of protein evolution and evolutionary processes in general.
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Tertiary Structure Prediction

2003
Experimental methods such as nuclear magnetic resonance spectroscopy or x-ray diffraction analysis are widely used in order to determine tertiary pro- tein structures. But the rate at which protein structures can be determined by experimental techniques is much lower than the rate at which new genes are identified by the various genome projects ...
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Maturation of Tertiary Lymphoid Structures

Tertiary lymphoid structures (TLS) are organized collections of B and T lymphocytes that arise in nonlymphoid tissue in response to chronic, unresolved inflammation. TLS have structural and functional similarities to germinal centers found in lymph nodes and are believed to support the establishment of lymph node-like adaptive immune responses at local
Daniel H, Shu, Dimitrios N, Sidiropoulos
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Modeling of Tertiary Structures

1995
Preceding chapters, but particularly Chapters 6–9 (covering methods, software packages, data, and secondary-structure predictive procedures), provide the basis for the discussion of specific details and practical applications to be presented in this and following chapters.
S. Fraga, J. M. R. Parker, J. M. Pocock
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[Tertiary structure of histones].

TSitologiia i genetika, 1976
Optical absorption and fluorescence of histones F2a and F2b were studied. An increase in pH and ionic strength induced the structure change in these histones fractions. The hydrofobic sites are formed in protein molecules and this leads to an intensification of histone-histone interactions.
S N, Khrapunov   +2 more
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Protein Tertiary Structure Prediction

2006
One of the most important scientific achievements of the twentieth century was the discovery of the DNA double helical structure by Watson and Crick in 1953. Strictly speaking, the work was the result of a three-dimensional modeling conducted partly based on data obtained from x-ray diffraction of DNA and partly based on chemical bonding information ...
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