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Application of Computational Studies for Elucidation of Protein Structure and Function

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Chemical Biology".

Deadline for manuscript submissions: 31 October 2024 | Viewed by 148

Special Issue Editor

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Guest Editor
College of Life Sciences, Ritsumeikan University, 1-1-1 Nojihigashi, Kusatsu 525-8577, Shiga, Japan
Interests: computational chemistry; biophysics; bioinformatics; protein structure
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Special Issue Information

Dear Colleagues,

Nowadays, computational techniques are widely applied to various problems including biological systems. In particular, many computer simulation techniques are applied to protein dynamics and folding. Bioinformatics techniques are also applied to extract various information from amino acid sequences and evolutional results. Artificial intelligence techniques have been developed in the field of protein structure prediction. Thus, we are planning this Special Issue regarding new applications of various computational techniques to solve problems related to protein structures and functions. It should be noted that pure theoretical works are important to solve protein problems. We are also interested in very complicated protein systems and drug discovery.

Dr. Takeshi Kikuchi
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at 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. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). 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.


  • simulation
  • artificial intelligence
  • bioinformatics
  • sequence analysis
  • protein assembly
  • drug discovery
  • theory

Published Papers

This special issue is now open for submission.
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