Cyclic coordinate descent: A robotics algorithm for protein loop closure

AA Canutescu, RL Dunbrack Jr - Protein science, 2003 - Wiley Online Library
In protein structure prediction, it is often the case that a protein segment must be adjusted to
connect two fixed segments. This occurs during loop structure prediction in homology …

Modeling structures and motions of loops in protein molecules

A Shehu, LE Kavraki - Entropy, 2012 - mdpi.com
Unlike the secondary structure elements that connect in protein structures, loop fragments in
protein chains are often highly mobile even in generally stable proteins. The structural …

A random loop generator for planning the motions of closed kinematic chains using PRM methods

J Cortés, T Siméon, JP Laumond - Proceedings 2002 IEEE …, 2002 - ieeexplore.ieee.org
Closed kinematic chains in mechanical systems represent a challenge for their motion
analysis, and therefore, for path planning. Closed mechanisms appear in different areas …

A motion-planning approach to folding: From paper craft to protein folding

G Song, NM Amato - IEEE Transactions on Robotics and …, 2004 - ieeexplore.ieee.org
In this paper, we present a framework for studying folding problems from a motion-planning
perspective. The version of the motion-planning problem we consider is that of determining …

Inverse kinematics in biology: the protein loop closure problem

R Kolodny, L Guibas, M Levitt… - … International Journal of …, 2005 - journals.sagepub.com
Assembling fragments from known protein structures is a widely used approach to construct
structural models for new proteins. We describe an application of this idea to an important …

Algorithmic dimensionality reduction for molecular structure analysis

WM Brown, S Martin, SN Pollock… - The Journal of …, 2008 - pubs.aip.org
Dimensionality reduction approaches have been used to exploit the redundancy in a
Cartesian coordinate representation of molecular motion by producing low-dimensional …

Modeling protein conformational ensembles: From missing loops to equilibrium fluctuations

A Shehu, C Clementi, LE Kavraki - Proteins: Structure, Function …, 2006 - Wiley Online Library
Characterizing protein flexibility is an important goal for understanding the physical–
chemical principles governing biological function. This paper presents a Fragment …

Real-space protein-model completion: an inverse-kinematics approach

H Van Den Bedem, I Lotan, JC Latombe… - … Section D: Biological …, 2005 - journals.iucr.org
Rapid protein-structure determination relies greatly on software that can automatically build
a protein model into an experimental electron-density map. In favorable circumstances …

[HTML][HTML] Numerically stable solution to the 6r problem of inverse kinematics

X Cao, EA Coutsias, S Pollock - Advances in computational …, 2023 - ncbi.nlm.nih.gov
In this paper, a stable and accurate algorithm to compute all solutions of the inverse
kinematics problem of a 6 revolute manipulator chain is presented. A system of equations is …

A survey of computational treatments of biomolecules by robotics-inspired methods modeling equilibrium structure and dynamic

A Shehu, E Plaku - Journal of Artificial Intelligence Research, 2016 - jair.org
More than fifty years of research in molecular biology have demonstrated that the ability of
small and large molecules to interact with one another and propagate the cellular processes …