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On the Structure of the Inverse Kinematics Map of a Fragment of Protein Backbone by R. J. Milgram; Guanfeng Liu; J. C. Latombe is a Chemistry article available to read on EtoBox.

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## Abstract Loop closure in proteins requires computing the values of the inverse kinematics (IK) map for a backbone fragment with 2__n__ ≥ 6 torsional degrees of freedom (dofs). It occurs in a variety of contexts, e.g., structure determination from electron‐density maps, loop insertion in homology‐based structure prediction, backbone tweaking for protein energy minimization, and the study of protein mobility in folded states. The first part of this paper analyzes the global structure of the IK map for a fragment of protein backbone with 6 torsional dofs for a slightly idealized kinematic model, called the canonical model. This model, which assumes that every two consecutive torsional bonds C~α~C and NC~α~ are exactly parallel, makes it possible to separately compute the inverse orientation map and the inverse position map. The singularities of both maps and their images, the critical sets, respectively, decompose __SO__(3) × R^3^ into open regions where the number of IK solutions is constant. This decomposition leads to a constructive proof of the existence of a region in R^3^ × __SO__(3) where the IK of the 6‐dof fragment attains its theoretical maximum of 16 solutions. The sec

Who reads On the Structure of the Inverse Kinematics Map of a Fragment of Protein Backbone?

Author

R. J. Milgram; Guanfeng Liu; J. C. Latombe

Publisher

John Wiley and Sons; Wiley (John Wiley & Sons); John Wiley & Sons Inc.; Wiley (ISSN 0192-8651)

Published

2007

Language

EN

Field

Chemistry (Physical Sciences)