Jul 1, 2008 · A backrub shifts the Cα–Cβ orientation of a given side-chain by rigid-body dipeptide rotation plus smaller individual rotations of the two ...
Jul 1, 2008 · A backrub shifts the C(alpha)-C(beta) orientation of a given side-chain by rigid-body dipeptide rotation plus smaller individual rotations of ...
A combinatorial search algorithm for protein design that incorporates an automated procedure for local backbone flexibility via backrub motions and derives ...
Abstract Motivation: The Backrub is a small but kinematically efficient side-chain-coupled local backbone motion frequently observed in atomic-resolution ...
Second, we directly apply a provably-accurate, backrub-enabled protein design algorithm to idealized versions of these motifs, and discover that the lowest- ...
Feb 2, 2006 · A backrub motion shifts the position of the Cα-Cβ bond vector for residue i by a backbone change that is low energy (i.e., maintains essentially ...
Oct 1, 2019 · The DEEPer algorithm addresses this problem by using only backbone motions based on experimental observations, such as the backrub motion ...
from publication: Algorithm for backrub motions in protein design | The Backrub is a small but kinematically efficient side-chain-coupled local backbone motion ...
People also ask
What is the role of the backbone in computational protein design?
Local backbone moves for peptide chains. Backbone heavy atoms are shown, Cα atoms are shown as spheres. (a) The backrub motion, which explains alternative side-chain densities observed in high-resolution crystal structures [40]. The middle Cα atom rotates around the axis between the first and third Cα atoms.
What is protein design used for?
Protein modeling and design is the method aimed to fold a primary amino acids sequence into protein structure with the ultimate goal of designing novel function and behavior.
What is the protein design problem?
Protein design is frequently referred to as the inverse protein-folding problem. Instead of searching for the lowest-energy conformation for a given protein sequence, the goal is to identify an amino acid sequence that will stabilize a desired protein conformation or binding interaction.
... protein structures; describes the BACKRUB algorithm for modeling such shifts; and shows that this low-energy, small-amplitude concerted shift of the ...
Algorithm for backrub motions in protein design. I. Georgiev, D. Keedy, J. Richardson, D. Richardson, and B. Donald. ISMB, page 196-204. (2008 ). 1. 1 ...