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Molecular Mechanisms of Protein Inhibition and Metabolism

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

Deadline for manuscript submissions: 31 August 2026 | Viewed by 69

Special Issue Editor


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Guest Editor
Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, China
Interests: protein chemistry; computational biology
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

In the realm of modern molecular science, understanding the intricate mechanisms of protein inhibition and metabolism stands as a cornerstone for advancing biomedical research and therapeutic development. Proteins, as the workhorses of cellular function, are tightly regulated through complex networks of interactions and modifications. Disruptions in these processes can lead to a myriad of diseases, making the study of protein inhibition and metabolism crucial for uncovering novel therapeutic targets and strategies. Given the rapid advancements in computational chemistry and biology, we now have unprecedented opportunities to delve deeper into these molecular intricacies, providing valuable insights that bridge basic science with clinical applications.

The aim of this Special Issue is to compile studies that elucidate the molecular mechanisms underlying protein inhibition and metabolism. Researchers in computational chemistry and biology are invited to submit original research/reviews on protein inhibition and metabolism mechanisms, advancing knowledge and therapeutic discovery.

Research areas may include (but are not limited to) the following:

  1. Computational modeling of protein-inhibitor interactions and binding affinities.
  2. Simulation studies on allosteric regulation mechanisms in protein function.
  3. Computational analysis of post-translational modifications and their impact on protein metabolism.
  4. Enzymatic pathway simulations and their relevance to protein turnover and disease.
  5. Identification of therapeutic targets through computational screening and drug design approaches.

We look forward to your valuable contributions, which will undoubtedly enrich our understanding and drive innovation in this exciting field.

Dr. Song Wang
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 250 words) can be sent to the Editorial Office for assessment.

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.

Keywords

  • protein inhibition
  • metabolism
  • computational chemistry
  • molecular modeling
  • therapeutic targets

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Published Papers

This special issue is now open for submission.
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