Integrating AI, Photonics, and Molecular Modeling: The Future of Precision Medicine

This study presents a novel computational framework combining Artificial Intelligence (AI), photonics, and molecular modeling to accelerate precision drug discovery. Light-driven photonic simulations enable ultrafast modeling of molecular energy landscapes and conformational dynamics, while AI algorithms optimize molecular interactions, binding affinities, and therapeutic specificity. The integration forms the Photonically-Assisted AI Molecular Modeling System (PAIMMS), establishing a paradigm for real-time, adaptive, and personalized medicine. Applications span oncology, neurodegenerative disorders, and virology, highlighting the potential for fully autonomous, light-powered therapeutic design. This work lays the foundation for a new discipline: Computational Photonic Biomedicine, where photons compute therapeutic futures.

Institutions

Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2025-10-08
DOI
https://doi.org/10.5281/zenodo.17295048
Primary Topic
Machine Learning in Materials Science
Type
article
Field-Weighted Citation Impact
0.00
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article

Integrating AI, Photonics, and Molecular Modeling: The Future of Precision Medicine

Zenodo (CERN European Organization for Nuclear Research)
Machine Learning in Materials Science
article

Integrating AI, Photonics, and Molecular Modeling: The Future of Precision Medicine

article en

Abstract

This study presents a novel computational framework combining Artificial Intelligence (AI), photonics, and molecular modeling to accelerate precision drug discovery. Light-driven photonic simulations enable ultrafast modeling of molecular energy landscapes and conformational dynamics, while AI algorithms optimize molecular interactions, binding affinities, and therapeutic specificity. The integration forms the Photonically-Assisted AI Molecular Modeling System (PAIMMS), establishing a paradigm for real-time, adaptive, and personalized medicine. Applications span oncology, neurodegenerative disorders, and virology, highlighting the potential for fully autonomous, light-powered therapeutic design. This work lays the foundation for a new discipline: Computational Photonic Biomedicine, where photons compute therapeutic futures.

Zenodo (CERN European Organization for Nuclear Research)
IndependenceFirst (US)
Affordable and clean energy
Openalex Percentile: Top 58%
Machine Learning in Materials Science
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