PhD Candidate | Bioinformatics | Drug Design

Computational tools for molecular optimization.

I develop web-based bioinformatics workflows for drug repurposing, chemical derivatization, and molecular optimization with a focus on reproducibility, accessibility, and translational research.

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Affiliation Bar-Ilan University, Safed
Supervisor Dr. Avraham Samson
Research Area Computational drug optimization

About Me

Biotechnology and bioinformatics researcher with experience in drug development, computational workflows, and biomedical research.

I am a PhD candidate in Medical Sciences at the Azrieli Faculty of Medicine, Bar-Ilan University. My current work focuses on building computational tools for modifying, repurposing, and optimizing approved cancer drugs.

My academic background includes an accelerated B.Sc. and research-based M.Sc. track in Biotechnology, with previous research on epigenetic regulation and breast cancer biology.

  • Molecular libraries and one-step chemical derivatization.
  • Pharmacophore generation for molecular docking workflows.
  • Accessible web tools for computational drug discovery.

Research Tools

Web tools and prototypes developed as part of my computational drug design workflow.

Live tool

SMILES Variant Generator

Generates valid one-step molecular variants from a SMILES input using RDKit, including fragment addition, removal, bond-order changes, and ring operations.

Open tool Docking

Molecular Docking Interface

Protein-ligand docking interface for testing ligand structures and reviewing predicted binding poses.

Open docking page Visualization

Structure Viewer

A browser-based molecular structure viewer for inspecting protein and ligand structures during computational analysis.

Open viewer

Publications

Peer-reviewed publications connected to bioinformatics, nutrients, drugs, and neurological disease research.

Nutrients | 2025

Drugs and Nutrients in Epilepsy: Vitamin B6 and the Ketogenic Diet

Nutrients, 17(16), 2676. A citation-mining review of drugs and nutrients associated with epilepsy, including vitamin B6 and ketogenic diet mechanisms.

View publication Neurology International | 2026

Consensus Molecules Associated with Parkinson's Disease

Neurology International, 18(2), 23. A literature-based analysis of molecules associated with Parkinson's disease and their biological relevance.

View publication IJNPND | 2025

Nutrients and Drugs in Alzheimer's Disease: Harnessing Antioxidants

International Journal of Nutrition, Pharmacology, Neurological Diseases, 15(4), 359-367. A review of nutrients, drugs, and antioxidant-related molecular associations in Alzheimer's disease.

View publication

Education

Academic training in medical sciences, bioinformatics, biotechnology, and cancer research.

PhD Candidate in Medical Sciences

Feb 2025 - Present

Azrieli Faculty of Medicine, Bar-Ilan University, Safed. Supervisor: Dr. Avraham Samson.

M.Sc. in Biotechnology

Mar 2020 - Nov 2021

Tel-Hai College, Kiryat Shmona. Thesis: Epigenetic regulation of miR-10b linking obesity and breast cancer. MIGAL Research Institute.

B.Sc. in Biotechnology, Pre-Med Track

Sep 2017 - Jul 2020

Tel-Hai College, Kiryat Shmona. Sion Program, accelerated B.Sc. and research-based M.Sc. track.

Contact

For research collaboration, computational tool development, or academic inquiries.

Academic Email rahaf.ezzy@biu.ac.il
Personal Email rahafsalalha45@gmail.com