On the Inverse Kinematics of a Fragment of Protein Backbone

On the structure of the inverse kinematics map of a fragment of protein backbone

Loop closure in proteins requires computing the values of the inverse kinematics (IK) map for a backbone fragment with 2n > or = 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 mobi...

A theoretical study on quadrupole coupling parameters of HRPII Protein modeled as 310-helix & α-helix structures

A fragment of Histidine rich protein II (HRP II 215-236) was investigated by 14N and 17O electric field gradient, EFG, tensor calculations using DFT. This study is intended to explore the differences between 310-helix and α-helix of HRPII both in the gas phase and in solution. To achieve the aims, the 17O and 14N NQR parameters of a fragment of HRPII (215-236) for both structures are calculated...

Inverse Kinematics in Biology: The Protein Loop Closure Problem

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 inverse kinematics problem in structural biology: the loop closure problem. We have developed an algorithm for generating the conformations of candidate loops that fit in a gap of given length in a protein structure...

Probik: Protein Backbone Motion by Inverse Kinematics

To investigate the parameters of the protein design problem that we are exploring in collaboration with biochemists, we have developed a tool that uses inverse kinematics to support moving small fragments of protein backbone, while respecting biochemists’ desires to “remain in favorable regions of the Ramachandran plot” and “preserve ideal geometry”. By presenting estimates of derivatives in re...

GMDH Type Neural Networks and Their Application to the Identification of the Inverse Kinematics Equations of Robotic Manipulators (RESEARCH NOTE)