Advances in Computational Biology: Molecular Dynamics Simulation of Biomolecules
A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Molecular Informatics".
Deadline for manuscript submissions: closed (20 March 2026) | Viewed by 5972
Special Issue Editor
Interests: computational biology; molecular dynamics; rare diseases; antimicrobials; antivirals; cancer
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
The simulation of important processes in biomedicine and biotechnology using computational methods has become a well-established field in recent years. We can simulate motions associated with the function of key macromolecules in cellular processes. Using molecular dynamics systems, we can study the effect of a mutation that causes a rare disease or a carcinogenic process on the structure and/or function of a macromolecule. We can also design molecules with the ability to act as antimicrobial, antiviral or anticancer agents. All these processes, as well as the methodology that makes them possible, are welcome in this Special Issue of IJMS.
Dr. Paulino Gómez-Puertas
Guest Editor
Manuscript Submission Information
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Keywords
- computational biology
- molecular dynamics
- molecular simulation of rare diseases
- computational design of antimicrobials
- computational design of antivirals
- molecular simulation of cancer-related processes
- computational design of anti-cancer molecules
- molecular simulation of biotechnology processes
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