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USD 30 /hr

★★★★★

☆☆☆☆☆

Hire Dr. Ancy I.

India

USD 30 /hr

PhD Bioinformatics Scientist | Drug Discovery | NGS Analysis | Molecular Dynamics | ML-CADD | 18 Publications

Profile Summary

I am a PhD Research Scientist with 7+ years of hands-on expertise in bioinformatics, computational biology, and structure-based drug discovery. I have contributed to 18 peer-reviewed publications in high-impact journals including Journal of Molecular Structure, Journal of Biomolecular Structure and Dynamics, and SAR & QSAR in Environmental Research, with a cumulative impact factor exceeding 60. My work spans the full computational drug discovery pipeline — from target identification and molecular docking to microsecond MD simulations, binding free energy calculations, and ML-based QSAR modelling. I also specialise in NGS data analysis including scRNA-seq, bulk RNA-seq, and variant calling pipelines. What I can do for you: Molecular docking and virtual screening (AutoDock, Maestro/Schrödinger, Dock6) Molecular dynamics simulation and analysis (AMBER, GROMACS, Desmond, OpenMM) Binding free energy calculations (MM-GBSA, MM-PBSA) scRNA-seq and bulk RNA-seq analysis (Scanpy, HISAT2, featureCounts, R) Variant calling and NGS pipeline development (GATK, Picard, HISAT2) Network pharmacology and systems biology (Cytoscape, ClueGO) ML-based drug discovery and QSAR modelling (Python, RDKit, scikit-learn) Manuscript writing, scientific review, and data interpretation I have been recognised with First Prize at the NGS Workshop, Genomics India Conference 2025 (IISc, Bengaluru) and serve as a peer reviewer for 6 international journals including Scientific Reports and Molecular Diversity. Whether you need a complete computational analysis, help with a specific pipeline, or support in writing and interpreting your results — I deliver rigorous, publication-ready work on time. I am available for short-term projects, long-term collaborations, and manuscript support. Let's discuss your research needs.

Subject Matter Expertise

• ☆ Molecular Modeling
• ☆ Molecular Docking
• ☆ Molecular Biology
• ☆ Omics

Services

• Writing
• Research
• Consulting
• Data & AI
• Product Development

Writing Technical Writing

Research Scientific and Technical Research

Consulting Healthcare Consulting, Scientific and Technical Consulting

Data & AI Predictive Modeling, Big Data Analytics

Product Development Concept Development

Work Experience

Research Scientist

Bioinnov solutions LLP

July 2023 - Present

Guest lecturer

Periyar University

September 2022 - June 2033

Education

PhD (Physics)

Periyar University

December 2014 - September 2020

M.Sc Physics

Periyar University

June 2012 - April 2014

Certifications

• NGS training

  IISc and genomics india

  August 2025 - Present

Publications

JOURNAL ARTICLE

Penislusshiyan Sakayanathan, Chitra Loganathan, Ancy Iruthayaraj, Palvannan Thayumanavan (2021). Biological activity identification of newly synthesized plumbagin‐lipoic acid conjugate: <i>In vitro</i> and <i>in silico</i> analyses of interaction with acetylcholinesterase and butyrylcholinesterase . Alzheimer's &amp; Dementia.

Iruthayaraj Ancy, Mugudeeswaran Sivanandam, Poomani Kumaradhas (2021). Possibility of HIV-1 protease inhibitors-clinical trial drugs as repurposed drugs for SARS-CoV-2 main protease: a molecular docking, molecular dynamics and binding free energy simulation study . Journal of Biomolecular Structure and Dynamics.

Jaganathan Ramakrishnan, Saravanan Kandasamy, Ancy Iruthayaraj, Sivanandam Magudeeswaran, Kalaiarasi Chinnasamy, Kumaradhas Poomani (2021). Strong Binding of Leupeptin with TMPRSS2 Protease May Be an Alternative to Camostat and Nafamostat for SARS-CoV-2 Repurposed Drug: Evaluation from Molecular Docking and Molecular Dynamics Simulations . Applied Biochemistry and Biotechnology.

Iruthayaraj Ancy, Magudeeswaran Sivanandam, Raju Kalaivani, Poomani Kumaradhas (2020). Insights of inhibition mechanism of sifuvirtide and MT-sifuvirtide against wild and mutant HIV-1 envelope glycoprotein41: a molecular dynamics simulation and binding free energy study . Molecular Simulation.

Sakayanathan Penislusshiyan, Loganathan Chitra, Iruthayaraj Ancy, Poomani Kumaradhas, Thayumanavan Palvannan (2020). Novel antioxidant astaxanthin-s-allyl cysteine biconjugate diminished oxidative stress and mitochondrial dysfunction to triumph diabetes in rat model . Life Sciences.

Ancy Iruthayaraj, Kalaiarasi Chinnasamy, Kunal Kumar Jha, Parthapratim Munshi, Mysore S. Pavan, Poomani Kumaradhas (2019). Topology of electron density and electrostatic potential of HIV reverse transcriptase inhibitor zidovudine from high resolution X-ray diffraction and charge density analysis . Journal of Molecular Structure.

Preethi Johnson, Chitra Loganathan, Ancy Iruthayaraj, Kumaradhas Poomani, Palvannan Thayumanavan (2018). S-allyl cysteine as potent anti-gout drug: Insight into the xanthine oxidase inhibition and anti-inflammatory activity . Biochimie.

Penislusshiyan Sakayanathan, Chitra Loganathan, Ancy Iruthayaraj, Premkumar Periyasamy, Kumaradhas Poomani, Viswanathamurthi Periasamy, Palvannan Thayumanavan (2018). Biological interaction of newly synthesized astaxanthin-s-allyl cysteine biconjugate with Saccharomyces cerevisiae and mammalian α-glucosidase: In vitro kinetics and in silico docking analysis . International Journal of Biological Macromolecules.

Palvannan Thayumanavan, Chitra Loganathan, Ancy Iruthayaraj, Kumaradhas Poomani, Selvan Nallaiyan (2018). S-allyl-glutathione, a synthetic analogue of glutathione protected liver against carbon tetrachloride toxicity: Focus towards anti-oxidative efficiency . Environmental Toxicology and Pharmacology.

Periyasamy Ratha, Loganathan Chitra, Iruthayaraj Ancy, Poomani Kumaradhas, Thayumanavan Palvannan (2017). New amino acid-Schiff base derived from s-allyl cysteine and methionine alleviates carbon tetrachloride-induced liver dysfunction . Biochimie.