$ whoami
PharmD graduate with a deep passion for computational biology, computational chemistry, and drug discovery. My work sits at the intersection of pharmacy, chemistry, and data-driven science, where I use in silico methods to explore new therapeutic strategies.
I love designing and developing digital tools that make medication use safer and smarter — building technology that genuinely improves healthcare outcomes.
For my PharmD thesis, I focused on drug repurposing — specifically investigating anthelmintic drugs for chronic myeloid leukemia (CML). I combined molecular docking, molecular dynamics (MD) simulations, and density functional theory (DFT) to evaluate binding mechanisms, stability, and electronic properties of candidate compounds.
My Github and portfolio showcase projects in computational chemistry, drug design simulations, and related data analysis workflows.
I'm now preparing to apply for a PhD program in Medicinal Chemistry, aiming to further develop computational and experimental strategies for drug discovery, particularly in targeting cancer and neglected diseases.
amrqhz · tehran, iran
INFO
RESEARCH INTERESTS
PAPERS
Research papers, preprints, and computational studies in medicinal chemistry, drug repurposing, and computational biology.
Investigating the potential of anthelmintic drugs as alternative therapies for CML using in silico approaches, including molecular docking, molecular dynamics simulations, and density functional theory to evaluate binding mechanisms and stability.
TOOLS & PLATFORMS
Projects I've coded, with repo and notes.
The fastest way to see the Autodock and MD results. Visualize docking and molecular dynamics output interactively.
The fastest way to explore SMILES. Search, retrieve, and analyze molecular SMILES strings.
The fastest way to visualize PDB files. Interactive 3D protein structure viewer directly in the browser.
Pharmacy Oriented Models — a collection of tools for drug discovery and computational pharmacy workflows.
Dose calculator for pharmacists. Accurate and fast dosage calculations available as a web app.
Interactive presentation of docking, MD, and DFT results from my PharmD thesis on CML drug repurposing.
Ovulation cycle tracker — be accurate and precise. Available as a web application.
LIBRARY
Books I've read, with reviews and notes.
Nothing currently in progress.
