Special Issue "Computational Intelligence in Structure and Function Prediction and Modeling of Proteins"

A special issue of Biomolecules (ISSN 2218-273X). This special issue belongs to the section "Bioinformatics and Systems Biology".

Deadline for manuscript submissions: 31 July 2022 | Viewed by 913

Special Issue Editor

Dr. Jian Zhang
E-Mail Website
Guest Editor
School of Computer and Information Technology, Xinyang Normal University, Xinyang 464000, China
Interests: molecular biochemistry; high-throughput protein structure and function analysis; data mining and deep learning; intelligent computing

Special Issue Information

Dear Colleagues,

Exploring the functions and structures of proteins is paramount for understanding the molecular mechanisms of life. The analyses and predictions of protein functional residues contribute to the research of protein function. The traditional methods used to extract protein structures and function information all involve biophysics-related or biochemistry-related technologies. These technologies need expensive experimental instruments, complex experimental procedures and elaborate human resources. They are benefited from the development of bioinformatics, which uses intelligent computing methods to accurately predict protein structure information and functional residues. Currently, only a few proteins have accurate 3D structure information. With the avalanche of hundreds of thousands of unknown proteins, computational intelligence methods have become ever more popular since they could provide informative and valuable clues for biologists.

This Special Issue of Biomolecules is dedicated to computational methods and analyses focusing on the identification, elucidation, and analysis of protein function-related factors. We welcome both original articles and surveys that cover state-of-the-art advances in this rapidly developing area. We also encourage the submission of experimental studies that are coupled with computational analysis.

We look forward to your contributions. 

Dr. Jian Zhang
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. Biomolecules is an international peer-reviewed open access monthly 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 2100 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.

Keywords

  • protein tertiary structure
  • protein folding
  • protein functional sites
  • protein functions
  • intrinsic disorder
  • drug discovery
  • computational prediction
  • machine learning and deep learning
  • optimization algorithms

Published Papers (1 paper)

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Research

Article
How Similar Are Proteins and Origami?
Biomolecules 2022, 12(5), 622; https://doi.org/10.3390/biom12050622 - 21 Apr 2022
Viewed by 529
Abstract
Protein folding and structural biology are highly active disciplines that combine basic research in various fields, including biology, chemistry, physics, and computer science, with practical applications in biomedicine and nanotechnology. However, there are still gaps in the understanding of the detailed mechanisms of [...] Read more.
Protein folding and structural biology are highly active disciplines that combine basic research in various fields, including biology, chemistry, physics, and computer science, with practical applications in biomedicine and nanotechnology. However, there are still gaps in the understanding of the detailed mechanisms of protein folding, and protein structure-function relations. In an effort to bridge these gaps, this paper studies the equivalence of proteins and origami. Research on proteins and origami provides strong evidence to support the use of origami folding principles and mechanical models to explain aspects of proteins formation and function. Although not identical, the equivalence of origami and proteins emerges in: (i) the folding processes, (ii) the shape and structure of proteins and origami models, and (iii) the intrinsic mechanical properties of the folded structures/models, which allows them to synchronically fold/unfold and effectively distribute forces to the whole structure. As a result, origami can contribute to the understanding of various key protein-related mechanisms and support the design of de novo proteins and nanomaterials. Full article
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