Molecular Docking and Structure-Based Modeling
A Special Issue of International Journal of Molecular Sciences (ISSN 1422-0067) belonging to the section "Molecular Biology".
Deadline for manuscript submissions: 31 October 2026 | Viewed by 973
Editor
Special Issue Information
Dear Colleagues,
The main theme of this Special Issue is the application of molecular docking and structure-based drug design in the treatment of challenging diseases with poor medical options, such as cancer, neurological disorders, and infectious diseases. These diseases remain significant global health challenges due to their complex pathophysiological basis and limited treatment alternatives, despite significant advances in biomedical research. The aim of this Special Issue is to highlight recent advances in computational techniques that enhance the identification and optimization of novel therapeutic alternatives. Contributions related to molecular dynamics simulations, virtual screening, binding affinity estimation, and integrative modeling techniques will be particularly welcome. The scope also includes research using both experimental and computer-based methods. The goal is to create a comprehensive drug development platform by bringing together the latest research in this field and to foster collaboration across different disciplines to create more effective and personalized treatments.
Prof. Dr. Serap Yalçın Azarkan
Guest Editor
Manuscript Submission Information
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Keywords
- molecular docking
- structure-based drug design
- challenging diseases
- cancer
- neurological disorders
- infectious diseases
- computational technique
- binding affinity estimation
- computer-based methods
- personalized treatments
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