Molecular Modeling: Latest Advances and Applications, 2nd Edition
A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Molecular Biophysics".
Deadline for manuscript submissions: 30 November 2025 | Viewed by 643
Special Issue Editors
Interests: molecular modeling; molecular dynamics simulations; modeling of biomolecules and their interactions
Special Issues, Collections and Topics in MDPI journals
Interests: molecular modeling; QSAR; bovine serum albumin; hepatitis virus; computational mutagenesis
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
Recent advances in computational power, algorithmic efficiency, and interdisciplinary collaborations have led to significant breakthroughs in molecular modeling. The goal of this Special Issue is to highlight state-of-the-art research in molecular modeling and its applications in a variety of fields, including new material development and pharmaceuticals. The contributions in this Special Issue highlight the critical role that molecular modeling plays in deepening our understanding of complex molecular systems by examining fresh approaches, theoretical discoveries, and practical applications of this field. This Special Issue offers an overview of current trends, difficulties, and future directions in molecular modeling, offering insightful viewpoints for researchers, practitioners, and educators alike.
Dr. Maria Alexandra Mernea
Prof. Dr. Dan Florin Mihǎilescu
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 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. 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
- molecular modeling
- computational chemistry
- drug design
- material science
- biomolecular interactions
- algorithmic advances
- theoretical chemistry
- simulation techniques
- predictive modeling
- interdisciplinary applications
Benefits of Publishing in a Special Issue
- Ease of navigation: Grouping papers by topic helps scholars navigate broad scope journals more efficiently.
- Greater discoverability: Special Issues support the reach and impact of scientific research. Articles in Special Issues are more discoverable and cited more frequently.
- Expansion of research network: Special Issues facilitate connections among authors, fostering scientific collaborations.
- External promotion: Articles in Special Issues are often promoted through the journal's social media, increasing their visibility.
- Reprint: MDPI Books provides the opportunity to republish successful Special Issues in book format, both online and in print.
Further information on MDPI's Special Issue policies can be found here.
