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Hire Dr. Dorothy D.

India

USD 90 /hr

PhD | Molecular Dynamics, Docking & Virtual Screening | Computational Structural Biologist with 6 years of experience

Profile Summary

I am a PhD computational structural biologist with 5+ years of hands-on experience in molecular dynamics simulation, protein modelling, and structure-based drug discovery. My doctoral and postdoctoral research has produced 13 peer-reviewed publications, spanning α-Synuclein membrane dynamics in Parkinson's disease, SARS-CoV-2 spike interactions, and small-molecule inhibitor design for neurodegenerative targets. What I can do for your project: Design and run full MD simulation pipelines using AMBER and GROMACS on HPC clusters (SLURM) Protein homology modelling and structure prediction Molecular docking and virtual screening (AutoDock, Glide) Protein-membrane and protein-ligand interaction analysis DFT-based optimisation and ADMET profiling of drug candidates Network pharmacology — target identification and pathway analysis Scientific writing, manuscript preparation and data interpretation Research highlights: I led computational investigations into membrane-induced aggregation of α-Synuclein under a nationally funded DST-SERB grant, characterising multiple familial Parkinson's disease mutations (A30G, pY39, pS87, pS129, C-terminal truncation) through simulation. I also designed and deployed an AMBER-based MD pipeline on an HPC cluster that was adopted lab-wide. In my current postdoctoral role at IASST-DST, I am applying integrated network pharmacology and MD simulation to identify plant-derived neuroprotective compounds in an Alzheimer's disease zebrafish model. Why work with me: I manage long-horizon computational projects independently, deliver clean simulation data with thorough analysis, and communicate results clearly through publication-quality reports. I am fully remote-capable and I can access HPC clusters daily via SSH and am experienced working asynchronously across distributed research teams.

Subject Matter Expertise

• ☆ Computational Biology
• ☆ Biostatistics
• ☆ Biochemistry
• ☆ Structural Biology
• ☆ Molecular Biology
• ☆ Protein Sequencing
• ☆ Cell Biology
• ☆ Membrane Biology
• ☆ Data Analysis
• ☆ Image Processing
• ☆ Computer Simulation/Computational Modeling
• ☆ Predictive Modeling & Analytics
• ☆ Data Exploration
• ☆ Data Visualization
• ☆ Data Collection
• ☆ Machine Learning
• ☆ Natural Language Processing
• ☆ Artificial Intelligence
• ☆ Deep Learning

Services

• Writing
• Research
• Data & AI

Writing Clinical Trial Documentation, Medical Writing, Technical Writing, Creative Writing

Research Scientific and Technical Research

Data & AI Predictive Modeling, Image Analysis, Data Visualization

Work Experience

Institute post doctoral fellow

Institute of Advanced Study in Science and Technology

June 2024 - June 2026

PhD research scholar

Tezpur University

January 2020 - October 2024

Education

Ph.D

Tezpur University

January 2020 - October 2024

Masters in Science

Bangalore University, India

July 2017 - May 2019

Bachelors in science

Bangalore University

June 2014 - July 2017

Certifications

• Certification details not provided.

Publications

JOURNAL ARTICLE

Dorothy Das, Anupam Dutta, Rituraj Chakraborty, Priti Rao, Rupak Mukhopadhyay, Venkata Satish Kumar Mattaparthi (2026). Assessing Dietary Polyphenols' Inhibitory Potential Against SARS-CoV-2 RNA-Dependent RNA Polymerase: Structural Insights and Implications for Indian Variants . Current Chemical Biology.

Dorothy Das, Rahul Kumar, Aparup Patra, Kangkon Saikia, Joana R. da Silva, Maria J. Ramos, Mojibur R. Khan, Pedro A. Fernandes, Ashis K. Mukherjee (2025). Revealing the rationale behind the differential neutralization of phospholipase A 2 (PLA 2 ) enzymes in snake and bee venom by varespladib (LY-315920), a small molecule PLA 2 inhibitor . Journal of Biomolecular Structure and Dynamics.

Dorothy Das, Venkata Satish Kumar Mattaparthi (2025). Computational investigation on the conformational dynamics of C-terminal truncated α-synuclein bound to membrane . Journal of Biomolecular Structure and Dynamics.

Dorothy Das, Priyam Bharadwaz, Venkata Satish Kumar Mattaparthi (2024). Computational investigation on the effect of the peptidomimetic inhibitors (NPT100-18A and NPT200-11) on the α-synuclein and lipid membrane interactions . Journal of Biomolecular Structure and Dynamics.

Dorothy Das, Venkata Satish Kumar Mattaparthi (2024). An In-Silico Approach to Study the Effect of Phosphorylation (Ps129) on the Conformational Dynamics of Membrane Bound Α-Synuclein . Current Chemical Biology.

Dorothy Das, Venkata Satish Kumar Mattaparthi (2024). Conformational Dynamics of Post-Translational-Modified α-Synuclein (pY39 and pS87) and its Interaction with Lipid Membrane . Current Biotechnology.

Dorothy Das, Priyam Bharadwaz, Venkata Satish Kumar Mattaparthi (2024). In silico Investigation on the Structural Insights into the Binding of Squalamine Inhibitor with Membrane-bound Α-Synuclein . Current Proteomics.

Dorothy Das, Venkata Satish Kumar Mattaparthi (2023). Conformational dynamics of A30G α-synuclein that causes familial Parkinson disease . Journal of Biomolecular Structure and Dynamics.