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Special Issue "Protein Domains: Structures and Molecular Functions"

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

Deadline for manuscript submissions: 30 October 2019

Special Issue Editors

Guest Editor
Prof. Dr. Hidekazu Hiroaki

Graduate School of Pharmaceutical Sciences, Nagoya University, Nagoya, Japan
Website | E-Mail
Interests: structural biology; protein structure determination; solution nmr; protein-ligand interaction; intrinsically disordered proteins; protein domain
Guest Editor
Dr. Kentaro Tomii

Artificial Intelligence Research Center, National Institute of Advanced Industrial Science and Technology (AIST), Tokyo, Japan
Website | E-Mail
Interests: bioinformatics; computational biology; structure prediction; structure comparison; sequence analysis; protein domain

Special Issue Information

Dear Colleagues,

Protein domains are modular units in terms of either structural, functional, or evolutionary aspects. After the completion of human genome projects, it was shown that more than 70% of the genes are encoding multidomain proteins with two or more domains. Understanding of structure–function relationships of the individual domains should lead to the illumination new physiological functions of unknown genes. We are motivated by this idea to develop methods for high-throughput structure determination, structure prediction, accurate modelling, molecular dynamic simulation, and the prediction of functions. The accumulation of knowledge of the structure and function of protein domains is still being continued and is providing an important basis for structure-guided drug discovery, protein therapeutics, genome-based diagnosis, designed proteins, molecular beacons and sensors, and synthetic biology. This Special Issue focuses on recent advances in the domain-centric analysis of proteins in the field of biochemistry, bioinformatics and biophysics. In addition, either the analysis of natural domain pairs (architectures) or the design of artificial multi-domain proteins are in focus. Original research papers, concise reviews, and perspectives are welcome.

Prof. Dr. Hidekazu Hiroaki
Dr. Kentaro Tomii
Guest Editors

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 papers will be 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 1800 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.


  • protein domains
  • domain pairs and supra-domains
  • architecture of multi-domain proteins
  • structure determination
  • prediction and modelling
  • simulation
  • database
  • spectroscopic analysis
  • structural comparison
  • folding and stability
  • ligand interaction/molecular recognition
  • dynamics/thermodynamics
  • de novo design
  • domain engineering
  • 3D domain swapping
  • domain selective inhibitors
  • domain-centric interactome
  • domain identification

Published Papers

This special issue is now open for submission.
Molecules EISSN 1420-3049 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
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