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Computational Biophysics and Bioinformatics of Proteins

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Molecular Biophysics".

Deadline for manuscript submissions: 31 May 2024 | Viewed by 700

Special Issue Editor

E-Mail Website
Guest Editor
Department of Physics and Astronomy, Clemson University, Clemson, SC 29634, USA
Interests: bioinformatics and computational biology; computational biology; protein structure; pathway analysis; computational systems biology; allosteric inhibition; drug discovery

Special Issue Information

Dear Colleagues,

Proteins are key players in various biological processes, so understanding their structure and function is essential for advancing our knowledge in fields such as fundamental biology, biomedicine, biotechnology/bioengineering, and drug discovery. While it is tempting to understand the elements of the biological system in its entirety as well as in isolation, understanding the structure, function, and dynamics of proteins and their interactions is of significant importance. Mutations and modifications like phosphorylation, ubiquitination, and other post-translational modifications further complicate protein regulation and function and add an additional level of complexity.

Through the use of computational biophysics and bioinformatics, researchers have been able to investigate the three-dimensional structure of proteins, predict their function, and analyze protein–ligand interactions. These computational methods have revolutionized the study of proteins by providing valuable insights into their structure and function and have emerged as important tools in the field of structural bioinformatics, complementing experimental efforts to characterize the vast protein universe.

This Special Issue of the International Journal of Molecular Sciences will focus on the “Computational Biophysics and Bioinformatics of Proteins”. In today’s rapidly advancing field of bioinformatics, computational biophysics and bioinformatics play a crucial role in understanding the complex structure, function, and dynamics of proteins. The research presented in this Special Issue will highlight the important role of computational biophysics and bioinformatics in advancing our understanding of protein structure and function.

We warmly welcome the submission of original research papers and reviews.

Dr. Preeti Pandey
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.


  • protein
  • computational biophysics
  • bioinformatics
  • protein dynamics
  • protein–ligand binding
  • protein–protein interaction
  • proteins’ structure and function
  • drug discovery

Published Papers

This special issue is now open for submission.
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