Steered molecular dynamics simulations reveal the role of Ca2+ in regulating mechanostability of cellulose-binding proteins

Author:

Gunnoo Melissabye1234ORCID,Cazade Pierre-André1234,Orlowski Adam1234,Chwastyk Mateusz15678,Liu Haipei910111213,Ta Duy Tien910111213ORCID,Cieplak Marek78141516ORCID,Nash Michael910111213,Thompson Damien1234ORCID

Affiliation:

1. Department of Physics

2. Bernal Institute

3. University of Limerick

4. Ireland

5. Arizona State University Tempe

6. USA

7. Laboratory of Biological Physics

8. Institute of Physics

9. Department of Chemistry

10. University of Basel

11. 4056 Basel

12. Switzerland

13. Department of Biosystems Science and Engineering

14. Polish Academy of Sciences

15. Warsaw

16. Poland

Abstract

Cellulosome nanomachines utilise binding specificity and high mechanical stability in breaking down cellulose.

Funder

Science Foundation Ireland

FP7 Nanosciences, Nanotechnologies, Materials and new Production Technologies

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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