Coarse-Grained Simulation Of Calbindin D9k

Authors

  • Mahendra Thapa University of Cincinnati (UC), OH, USA
  • Mark Rance Dept. of Molecular Genetics, Biochemistry and Microbiology, UC, OH, USA

DOI:

https://doi.org/10.3126/sw.v14i14.34977

Keywords:

Calbindin D9k, Course-grained simulation, CABS model, Cabs-flex server

Abstract

The coarse-grained protein modeling tool, Cabs-flex, is feely available online server; it is based on the CABS model in which each residue of a protein has been represented by four points. The server was used for the protein Calbindin D9k in it’s doubly calcium loaded state: small and single domain protein of the EF-hand family. Twelve representative structures, in all-atom format corresponding to each cluster, were also downloaded along with trajectories, ready-made plots, images, video, data files of Cα RMSD, atomic fluctuation and GDT_TS. In the present study, simulated Cα atomic fluctuations for residues of the protein was compared with the experimental results and also correlated with the respective Cα RMSD and GDT_TS.

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Published

2021-02-15

How to Cite

Thapa, M., & Rance, M. (2021). Coarse-Grained Simulation Of Calbindin D9k. Scientific World, 14(14), 14–20. https://doi.org/10.3126/sw.v14i14.34977

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Articles