Postdoctoral Researcher · University of Copenhagen, Denmark 🇩🇰
"Brave enough to code (live) my individuality" | "Building AI that makes molecules make sense"
I am a computational biologist at PLEN, University of Copenhagen, working on AI-driven pipelines that connect structural biology, machine learning, and environmental biotechnology.
My research path began at Jamia Millia Islamia in New Delhi, where I completed my PhD on deep-learning models for lung cancer drug discovery, followed by a visiting position at the University of Jyvaskyla, Finland. I am now at Copenhagen working on PFAS "forever chemicals". So far, I have 100+ publications, an H-index of 30, 2,100+ citations, and 650+ verified peer reviews, along with open-source tools freely available to the community.
I am seeking an Assistant Professorship to build the Translational Computational Pharmacology (TCP) Group. Full details on my research vision, publications, teaching, and CV are on my personal website.
I contribute both through this account (
ShabanAhmad) and through KU-MGB, the Microbial Genomics and Biodegradation research group at PLEN, University of Copenhagen.
| Repository | Description |
|---|---|
| DrLungker | Deep ensemble (ResNet + FNN + LSTM) for anti-lung-cancer compound activity prediction, with WaterMap, DFT and MD validation |
| DeepEntXAI | Hybrid CNN-LSTM with LIME explainability for Enterobacteriaceae drug activity classification |
| ChEMBL_LungCancer-BioAssays | Python pipeline for ChEMBL bioassay data analysis and FEDPN polypharmacology against lung cancer |
| PubChem_LungCancer-BioAssay | Plotting and analysis scripts for PubChem BioAssay lung cancer manuscript |
| RMSD-RMSF-Plots | Scripts for MD trajectory visualisation (RMSD / RMSF) |
| LUNGXAI | 1D CNN with LIME-based explainability for multi-class lung cancer classification from gene expression data |
| DeFluorX | AI-driven discovery of fluoroacetate dehalogenases (FAcDs) for PFAS defluorination · KU-MGB |
| HADeFluorX | Haloacid dehalogenase (HAD) screening pipeline, physics-aware and UniProt-ID-driven · KU-MGB |
| GenDeFluorX | Generalised defluorination enzyme discovery framework · KU-MGB |
| KU-MGB.github.io | Group website and result dashboards · KU-MGB |