About the Journal
The Journal of Computational Drug Design and Molecular Simulations is an international, peer-reviewed, open-access journal dedicated to advancing research at the interface of computational chemistry, molecular sciences, and modern drug discovery. The journal provides a platform for the dissemination of innovative theoretical, computational, and data-driven studies that contribute to understanding molecular behavior and accelerating the discovery and development of therapeutic agents.
The journal aims to bridge fundamental computational methodologies with practical applications in pharmaceutical and biomedical research. It welcomes contributions that present novel algorithms, improved computational techniques, and integrated modeling strategies that enhance the efficiency and accuracy of drug discovery pipelines.
The scope of the journal includes, but is not limited to:
- Molecular docking and structure-based drug design
- Molecular dynamics simulations and biomolecular interaction studies
- Advanced computational chemistry and quantum chemical modeling
- Cheminformatics and machine learning applications in drug discovery
- Molecular modeling of biological systems and ligand–receptor interactions
- Virtual screening and high-throughput in silico screening approaches
- Computer-aided drug design (CADD) and multi-target drug discovery strategies
- Pharmacokinetic modeling, including ADME/Tox prediction and evaluation
- Systems-level computational approaches in drug discovery and chemical biology
The journal encourages interdisciplinary submissions that integrate chemistry, biology, pharmacology, data science, and artificial intelligence to address complex challenges in drug discovery and molecular design. Studies with translational relevance, particularly those that contribute to the development of safer and more effective therapeutic agents, are especially encouraged.
By providing an international forum for high-quality research, the Journal of Computational Drug Design and Molecular Simulations seeks to support innovation in computational life sciences and contribute to the global advancement of drug discovery technologies.
ISSN: Print and Online. DOI Prefix: Crossref. Frequency: Continuous. Journal model: Open Access. Abstracting & Indexing: Google Scholar, Semantic Scholar, Index Copernicus, Crossref, WorldCat. Type of articles: Research and review (narrative and systematic) articles including book reviews, book of abstracts and conference proceedings. Article Processing Charges: $30 or #30,500 for local authors. Review type: Double-blind peer review. License type: CC BY 4.0.
Submission email: ipsjournal2@gmail.com
WhatsApp: +234(0)7039618485
