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Article History

Received: 7 June 2022

Accepted: 1 September 2022

First Online: 12 September 2022

Declarations

:

: This manuscript is based on our own calculated data. No plagiarism or any other moral/ethical value has been violated.

: I, Dr. Juan Liu, agree for the research conducted on the subject and has played co-supervisory role in carrying out the research and preparation of manuscript.I, Dr. Abid Latif, agree for the research conducted on the subject matter and played my role as co-author in carrying out the research and preparation of manuscript.I, Iqra Majeed, agree for the research conducted on the subject matter and played my role as co-author in carrying out the research and preparation of manuscript.I, Hamid Ullah, agree for the research conducted on the subject matter and played my role as co-author in carrying out the research and preparation of manuscript.I, Mazia Asghar, agree for the research conducted on the subject matter and played my role as co-author in carrying out the research and preparation of manuscript.I, Javed Ahmad, agree for the research conducted on the subject matter and played my role as co-author in carrying out the research and preparation of manuscript.

: I, Dr. Juan Liu, agree to submit the manuscript to the <i>Journal of Molecular Modeling</i>.I, Dr. Abid Latif, agree to submit the manuscript to the <i>Journal of Molecular Modeling</i>.I, Iqra Majeed, agree to submit the manuscript to the <i>Journal of Molecular Modeling</i>.I, Hamid Ullah, agree to submit the manuscript to the <i>Journal of Molecular Modeling</i>.I, Mazia Asghar, agree to submit the manuscript to the <i>Journal of Molecular Modeling</i>.I, Javed Ahmad, agree to submit the manuscript to the <i>Journal of Molecular Modeling</i>.

: The authors declare no competing interests.

: The authors declare no competing interests.