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Biomolecular Structures, Dynamics, and Functions

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: 20 October 2024 | Viewed by 342

Special Issue Editor

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Guest Editor
Department of Molecular Biology and Biochemistry, University of California, Irvine, CA 92697, USA
Interests: computational analysis of biomolecular sequence, structure, dynamics, and function
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Understanding biomolecular structures and functions is fundamental to unveiling the mysteries of life and has profound implications for drug discovery, disease understanding, and biotechnology. Although the significance was recognized decades ago and many efforts were devoted into this field, owing to the complexity of biomolecules and limitations of experimental technologies, structures under some cases are still hard to be resolved. The central dogma connecting biomolecular sequences to structures and functions enables direct prediction from sequences and greatly facilitates the development of computational biology. Recently, machine learning methods boomed in various fields and a breakthrough is AlphaFold and its extensions that have gained significant attention for their remarkable success in predicting protein structures with unprecedented accuracy. More comprehensive understanding of biomolecular structures and functions could be achieved with combination of multiple experimental techniques and computational methods. Thus, we have decided to launch a special issue focusing on Biomolecular Structures and Functions and warmly welcome all types of submissions including both original scientific findings and methodology advancements for better understanding the relations between biomolecular structures and functions. 

This special issue is supervised by Dr. Ray Luo and assisted by our Topical Advisory Panel Member Dr. Qiang Zhu.

Prof. Dr. Ray Luo
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.


  • biomolecular structures and functions
  • biomolecular recognition
  • structural biology
  • molecular dynamics
  • machine learning
  • NMR
  • crystallography

Published Papers

This special issue is now open for submission.
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