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Abstract
Motivation The remodeling of short fragment(s) of the protein backbone to accommodate new function(s), fine-tune binding specificities or change/create novel protein interactions is a common task in structure-based computational design. Alternative backbone conformations can be generated de novo or by redeploying existing fragments extracted from protein structures i.e. knowledge-based. We present Frag’r’Us, a web server designed to sample alternative protein backbone conformations in loop regions. The method relies on a database of super secondary structural motifs called smotifs. Thus, sampling of conformations reflects structurally feasible fragments compiled from existing protein structures.
Availability and implementation Frag’r’Us has been implemented as web application and is available at http://www.bioinsilico.org/FRAGRUS
Availability and implementation Frag’r’Us has been implemented as web application and is available at http://www.bioinsilico.org/FRAGRUS
Original language | English |
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Pages (from-to) | 1935-1936 |
Journal | Bioinformatics |
Volume | 30 |
Issue number | 13 |
DOIs | |
Publication status | Published - 01 Jul 2014 |
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Dive into the research topics of 'Frag’r’Us: Knowledge-based sampling of protein backbone conformations for de novo structure-based protein design'. Together they form a unique fingerprint.Projects
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Bioinformatics and genomic and phenomic platform development
Armstead, I. (PI), Boyle, R. (PI), Doonan, J. (PI), Fernandez Fuentes, N. (PI), Gay, A. (PI), Hegarty, M. (PI), Huang, L. (PI), Neal, M. (PI), Swain, M. (PI) & Thomas, I. (PI)
01 Apr 2012 → 31 Mar 2017
Project: Externally funded research