Bio-Macromolecular Modeling and Computational Design

Dear Colleagues,

The Special Issue "Bio-Macromolecular Modeling and Computational Design" focuses on the application of computational methods for the modeling and design of macromolecules in the field of biochemistry. For this Issue, we have collected original research articles, reviews, and perspectives that address different aspects of macromolecular modeling and design, including molecular dynamics simulations, machine learning algorithms, structure prediction, ligand–protein docking, and drug discovery.

The articles cover a broad range of biological macromolecules, including proteins, nucleic acids, and carbohydrates. They address a variety of topics, such as protein–ligand binding, protein stability, catalytic mechanisms, drug resistance, and enzyme engineering. Additionally, the Issue includes some articles that are relevant to biotechnological applications, such as in the development of novel therapeutics and biocatalysts.

The contributions in this Special Issue are authored by experts in the field, representing different research groups from around the world. Together, the articles provide a comprehensive overview of the current state-of-the-art computational methods for the modeling and design of bio-macromolecules, highlighting the potential of these methods to address challenges in the field of biochemistry and biotechnology.

Dr. Chin-Hung Lai
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. Bioengineering 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 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.