Methods for determining correlated residues in a protein or...

G - Physics – 06 – F

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G06F 19/12 (2011.01) C40B 30/02 (2006.01) G01N 33/68 (2006.01)

Patent

CA 2715043

The invention provides methods and systems of determining biopolymer profiles and correlations between structural units (residues) of a biopolymer based on sampling of the conformational space available to the molecule. The correlations between these structural units can further be used to find networks within a biopolymer such as the coupled residue networks in a protein. The invention also provides for designing and engineering biopolymers including polypeptides, nucleic acids and carbohydrates using the information derived from the conformation clustering and subsequent methods described herein.

La présente invention concerne des procédés et des systèmes de détermination de profils de biopolymères et des corrélations entre des motifs structurels (résidus) dun biopolymère sur la base déchantillonnage de lespace conformationnel disponible à la molécule. Les corrélations entre ces motifs structurels peuvent également être utilisées pour rechercher des réseaux dans un biopolymère tels que des réseaux de résidus couplés dans une protéine. Linvention concerne également la conception et la modification génétique de biopolymères comprenant des polypeptides, des acides nucléiques et des glucides au moyen de linformation dérivée du regroupement conformationnel et des procédés ultérieurs également décrits dans la description.

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