AI-Driven Approaches to Neurodegeneration: From Disease Models to Therapeutic Strategies

A special issue of Biomolecules (ISSN 2218-273X). This special issue belongs to the section "Bioinformatics and Systems Biology".

Deadline for manuscript submissions: 31 December 2026 | Viewed by 254

Special Issue Editors


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Guest Editor
Department of Neuroscience, Division of QHS Computational Biology, Mayo Clinic, Jacksonville, FL 32224, USA
Interests: protein modeling and new drugs, such as structural studies of biomolecular targets, assessment of druggability, drug discovery (hit to lead through optimization) and de novo design
Special Issues, Collections and Topics in MDPI journals

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Guest Editor
Department of Artificial Intelligence and Informatics, Mayo Clinic, Jacksonville, FL 32224, USA
Interests: machine learning; medical image analysis; natural language processing; software engineering
Special Issues, Collections and Topics in MDPI journals

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Guest Editor Assistant
Mayo Clinic Graduate School of Biomedical Sciences, Mayo Clinic, Rochester, MN 55905, USA
Interests: molecular dynamics simulation; molecular dynamics; molecular modeling; computational chemistry; density functional theory; quantum chemistry; molecular docking; computational materials science; electronic structure; quantum mechanics

Special Issue Information

Dear Colleagues,

Neurodegenerative diseases represent one of the greatest unmet medical challenges of our time, with profound societal, clinical, and economic consequences. Despite decades of research, effective disease-modifying therapies remain elusive. Recent advances in artificial intelligence (AI) are transforming our ability to interrogate these disorders across multiple scales, from molecular dynamics and protein conformational landscapes to patient-derived models and clinical trial design.

This Special Issue, “AI-Driven Approaches to Neurodegeneration: From Disease Models to Therapeutic Strategies, aims to highlight cutting-edge contributions that integrate computational innovation with biological insight. We welcome studies leveraging machine learning, structural modeling, functional genomics, and systems-level approaches to uncover mechanisms of disease, identify therapeutic targets, and accelerate drug discovery. Contributions spanning basic science, translational pipelines, and clinical applications are encouraged.

By bringing together expertise across disciplines, this Special Issue seeks to catalyze new frameworks for understanding and ultimately treating neurodegenerative diseases.

Dr. Thomas R. Caulfield
Dr. Jianfu Li
Guest Editors

Dr. Naeyma N. Islam
Guest Editor Assistant

Manuscript Submission Information

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Keywords

  • artificial intelligence (AI)
  • neurodegeneration
  • disease modeling
  • therapeutic discovery
  • machine learning in biomedicine

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Published Papers

This special issue is now open for submission.
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