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kandalkarankita/README.md

Hi there, I'm Ankita T. Kandalkar! πŸ‘‹

Bioinformatics Data Scientist

I am a Bioinformatics Data Scientist with a Master's degree and hands-on experience engineering machine learning pipelines, structural modeling workflows, and multi-omics data infrastructure. My focus is on translating complex biological data into actionable therapeutic insights by building auditable AI evaluation frameworks, automating data pipelines, and optimizing preclinical target safety profiles.

πŸ’» Tech Stack

Category Tools & Technologies
Programming & Data Science Python, R, Bash, SQL, Git, Statistical Modeling, PyMOL, py3Dmol, VMD
AI & Structural Modeling AlphaFold, AlphaLink2, RAG Pipelines, AI Agents, NAMD, OpenMM, AMBER Tools
Genomics & Bioinformatics RNA-seq, scRNA-seq, DESeq2, Seurat, Genomic Data Mining, TCGA, GTEx
Docking & Screening AutoDock Vina, PyRx, Discovery Studio, ADME Analysis
Databases RCSB-PDB, NCBI, UniProt, ChEMBL, PubChem, DrugBank, DALI Server

πŸš€ Featured Projects & Experience

Structural Modeling with AlphaLink2 (Mass General Hospital)

  • The Problem: Critical protein-protein interfaces governing oligomerization were hidden, complicating experimental validation.
  • The Solution: Predicted dimeric and tetrameric structural states using AlphaLink2 by integrating crosslinking mass spectrometry constraints.
  • The Impact: Optimized crosslink-guided modeling parameters to maximize constraint satisfaction and validated model quality using pLDDT and PAE metrics, successfully isolating high-confidence structural target regions.
  • Tech Stack: AlphaLink2, Mass Spectrometry Data, Structural Bioinformatics.

Death Domain Fold (DDF) Database (Boston Children's Hospital)

  • The Problem: A lack of standardized data formatting and centralized access hindered cross-functional research reproducibility.
  • The Solution: Compiled, curated, and launched a centralized, public Death Domain Fold (DDF) database featuring 209 entries (www.deathdomain.org).
  • The Impact: Automated the pipeline by integrating AlphaFold models with the DPAM tool via custom Python scripts, standardizing the structural biology workflow and dramatically cutting time-to-delivery.
  • Tech Stack: Python, AlphaFold, DPAM.

πŸŽ“ Education

  • Master of Science in Bioinformatics | Northeastern University, Boston, MA (Dec 2025)
  • Leadership: Graduate Student Ambassador

πŸ“« Let's Connect

LinkedIn ORCID Twitter

Popular repositories Loading

  1. kandalkarankita kandalkarankita Public

  2. rcc-multicohort-target-safety rcc-multicohort-target-safety Public

    An end-to-end translational transcriptomics pipeline integrating TCGA and GTEx V10 cohorts to stratify mixed-phenotype Renal Cell Carcinoma (RCC) and evaluate candidate biomarker target-safety wind…

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  3. tcga-stad-deg-gsea tcga-stad-deg-gsea Public

    DESeq2, GSEA and GO/KEGG enrichment on TCGA-STAD (tumor vs. normal)

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