Maestro Schrödinger
Harjot Kaur
PhD Researcher
Amritsar
Work Preference
Summary
PhD Researcher in Computational Drug Discovery and Network Pharmacology with 5+ years of full-time research experience in molecular docking, molecular dynamics simulations, MM-GBSA, virtual screening, and pathway-based target prioritization.
Research focused on neurodegenerative and neurological disorders, with strong expertise in natural product–based drug discovery and translational pharmacology.
Expected to complete PhD in mid-2026; open to postdoctoral, research scientist, or industry research roles thereafter.
Work History
PhD Researcher - Computational Drug Discovery
CSIR-Indian Institute of Integrative Medicine (CSIR-IIIM), Jammu, India
08.2020 - Current
- Structure-based virtual screening using molecular docking and MM-GBSA binding free energy calculations
- Molecular dynamics simulations to assess protein-ligand stability
- Network pharmacology and pathway enrichment analysis for target prioritization
- Integration of natural product libraries with computational drug discovery workflows
- RDKit-based descriptor calculation and similarity analysis to support prioritization
Student Trainee - Microbiology & Biochemical Analysis
ICAR-Indian Veterinary Research Institute, Palampur
05.2018 - 07.2018
- Isolation and purification of microorganisms with probiotic properties from fermented dairy products
- Thin-layer chromatography (TLC) analysis of microbial metabolites of hydrolysable tannins
- In vitro proximate analysis of microbial samples
- Culturing and maintenance of gut bacterial strains
- Work conducted in accordance with Good Laboratory Practices (GLP)
Summer Trainee - Industrial Biotechnology
Orbit Biotech Pvt. Ltd.
06.2016 - 07.2016
- Exposure to fermentation technology for R&D and manufacturing processes
- Observation of industrial workflows for wine fermentation and enzyme production
- Familiarity with upstream and downstream processing in industrial biotechnology
Education
Ph.D. - Biological Sciences
CSIR-Indian Institute of Integrative Medicine (CSIR-IIIM)
Jammu, India 08.2020 - Current
Master of Science - Honours Biotechnology
Punjabi University
Patiala, India01-2019
Bachelor of Science - Biotechnology
Hans Raj Mahila Maha Vidyalaya
Jalandhar, India01-2017
Skills
Computational Drug Discovery (CADD)
Software
BIOVIA Discovery Studio
Autodock
Cytoscape
R Studio
Interests
Computational drug discovery and structure-based design
Network pharmacology and systems-level analysis of disease pathways
Natural product-based therapeutics for neurological disorders
Translational research in neurodegenerative diseases
Translational research in neurodegenerative diseases
Intellectual Property / Software & Resources
Psychoactive Plant Database: A Neuroactive Phytochemical Resource for Drug Discovery
Registered Copyright (Computer Software / Database), Government of India
Copyright No.: SW-20236/2025
Role: Co-author & Developer
Owner: Council of Scientific & Industrial Research (CSIR)
[Registered Copyright (Govt. of India): Psychoactive Plant Database for neuroactive phytochemicals (SW-20236/2025)]
Languages
English
Punjabi
Hindi
Timeline
Ph.D. - Biological Sciences
CSIR-Indian Institute of Integrative Medicine (CSIR-IIIM)
08.2020 - Current
PhD Researcher - Computational Drug Discovery
CSIR-Indian Institute of Integrative Medicine (CSIR-IIIM), Jammu, India
08.2020 - Current
Student Trainee - Microbiology & Biochemical Analysis
ICAR-Indian Veterinary Research Institute, Palampur
05.2018 - 07.2018
Summer Trainee - Industrial Biotechnology
Orbit Biotech Pvt. Ltd.
06.2016 - 07.2016
Master of Science - Honours Biotechnology
Punjabi University
Bachelor of Science - Biotechnology
Hans Raj Mahila Maha Vidyalaya
AWARDS & FELLOWSHIPS
- First Prize - Poster Presentation, AI-D2A 2025: AI-Driven Innovations in Drug Discovery and Agriculture
- Best Poster Presentation Award, Symposium on Drug Discovery and Skill Development on High End Research, 2023
- Best Poster Presentation Award, International Conference on Drug Discovery (ICDD-2022), BITS Pilani Goa Campus
- DST–INSPIRE Fellowship Holder(2021-2026)
- Dr. B.S. Ahuja Merit Award
- Gold Medalist – M.Sc. (Hons.) Biotechnology
- Merit Departmental Scholarship, Punjabi University, Patiala